What's new in Name>Struct 12.0.1

CambridgeSoft continues to expand the range of nomenclature types recognized and supported by Name>Struct. The following examples show some of the new types of nomenclature supported in Name>Struct 12.0.1

These examples are not intended to be comprehensive; support has been added for many other things even beyond the cases shown here.

The names shown here are actual names that have appeared in published sources: literature, patents, chemical supply catalogs, and so on. They are presented here unmodified, and no claim is made that the names conform to any sort of official nomenclature recommendations. In fact, many of the names are obviously 'bad' in various ways. However, given the names as they are shown, the generated structures do seem to be the best interpretations possible.

New types of nomenclature supported

Three-letter codes for amino acids, including use in polypeptides and with further substituents and derivatives

Ala VAL-ASP ACETYL-LEU-LEU-ARG-AL

ASP-ARG-ASN-PHE-LEU-ARG-PHE AMIDE TRIFLUOROACETATE SALT

N-BENZOYL-PHE-VAL-ARG 4-METHOXY-BETA-NAPHTHYLAMIDE HYDROCHLORIDE Z-Tyr-Leu-NHOH

Cyclic diacyl nitrogen protecting groups

N-Maleoylglycine N-PHTHALOYL-DL-GLUTAMIC ANHYDRIDE

Improved support for fused systems with multiple parent components

12H-1,11-Methenobenzo[1,2:4,5]dicycloheptene,11a,12a-dihydro- 2-Butenoic acid, 3-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-

Cyclobuta[1,2-a:3,4-a']diacenaphthylene, 6b,6c,12b,12c-tetrahydro- (6balpha,6calpha,12balpha,12calpha)- Naphtho[1,8-cd:4,5-c',d']bis[1,2,6]thiadiazine Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,4,7-trioxide

Improved support for fused systems with multiple levels of fusions

1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, 3a,12c-dihydro-8-hydroxy-6-methoxy-7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one Benzo[b]benzo[3,4]cyclobuta[1,2-e][1,4]dioxin, 4b,10a-dihydro-

Improved numbering of interior atoms in fused systems

2a,4a,6a-Triaza-6b-phosphacyclopenta[cd]pentalene, hexahydro-, 6b-oxide 7b-Methyl-7bh-cyclopent[cd]indene

Fusions involving only one bond of a fusion atom in another component

8H-Naphth[1,8a-b]oxiren-8-one, octahydro-4,4a-dimethyl-6-(1-methylethenyl)- Cyclopropa[d]naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-(-)-

Fusions of a three-membered ring with only one fusion locant specified

1A,10B-DIHYDRO-6H-DIBENZO[B,F]OXIRENO[D]AZEPINE-6-CARBOXAMIDE Benz[a]oxireno[c]anthracene 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-oxireno(a)indene

Ring assemblies and spiro fusions of hetereocyclic fused systems

[3,3'-Bianthra[1,9-cd]pyrazole]-6,6'(1H,1'H)-dione, 1,1'-diethyl- Spiro[furan-3(2H),2'-furo[3,4-d][1,3]oxathiol]-4(5H)-one,4',6'-dihydro-2,2,4',4',5,5,6',6'-octamethyl-

Improved support for fused systems involving rings with greater than 10 atoms

(5,16:8,13)-diethenodibenzo[a,g]cyclododecene 6,7,14,15-tetrahydro-

Support for fused systems with components in enclosing marks

5,12-Diethylbis(benzimidazolo)[1,2-b:1',2'-e][1,2,4,5]tetrazine

Improved support for elision (proper or otherwise) between fusion components

Difur[2,3,-a:3,2,-d]benzene, 3,5,8-trimethyl Inden[1,2-b]indole, 5,10-dihydro-5-methyl Pyran[2,3-e]-1,2,4-triazine, 3 benzylthio-7,8-dihydro, hydrochloride

Improved support for benzo fusions where locants before the fused system apply to functional groups after the system

2,8-Dibenzothiophenediamine

Improved support for compounds composed of multiple neutral components

(R)-4-[1-hydroxy-2-(methylamino)ethyl]-1,2-Benzenediol, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) 5-Methyl phenazine, methyl sulfate salt Dimethylaminetrifluoroborane

4-carboxymethylenebut-2-en-4-olide-4-oxohex-2-enedioate 4-Nitroimidazole1-methyl-5-phenylsulfonate

Salts of substituted cations and anionic metal complexes with no space separating the cations from the anions

Bis(n-heptylammonium)tetrachlorocadmate Tris(1-dodecyl-3-methyl-2-phenylbenzimidazolium)hexacyanoferrate

Ions redundantly specified by -ic/-ous suffixes as well as charge or oxidation number

Cupric (II) oxide manganous(II)sulfate monohydrate cobaltic (+3) oxide

Additional types of salts with ratios specified explicitly

Sulfuric acid, Zinc salt (1:1) tin(II) chloride (1:2) Sodium pyrophosphate (4:1) Boron trifluoride etherate (1:1)

Improved support for multiple esters named as the condensation of an alcohol and a partially substituted polyacid

Cholesterol Isobutyl Carbonate Crotonamide, 3-hydroxy-N,N-dimethyl-, cis-, dimethyl phosphate Phenol, 4-tert-butyl-2-chloro-, methyl dimethylphosphoramidate

N-(Mercaptomethyl)phthalamide S-(O,O-dimethyl) phosphorodithioate phenylglyoxylonitrile oxime O,O-diethyl phosphorothioate 6-Dodecyl(14-crown-4)-6-ethanol diethyl phosphate

Improved recognition of missing punctuation and extraneous punctuation in fusion systems

1,3-dihydro-23dimethyl-imidazo[51b]quinazol-9-one 4(imidaz[45c]pyrid2yl)3methoxy-benzamide Azuleno[1,2,3-c,d]phenalene

Intermolecular anhydrides between different acids

benzoic 3-chloro-N-ethoxy-2,6-dimethoxybenzimidic anhydride

Thioamides named as acid derivatives

2-ethylisonicotinic thioamide

Heterosubstituted acids with the "ic" in enclosing marks but the "acid" not enclosed

Ethane(dithioic) acid Ethanebis(thioic) acid, S,S-diethyl ester

Oxoacids with hydrogen atoms bonded directly to the central heteroatom

Boronic acid Phosphonic acid Phosphonamidous chloride, N,P-bis(1,1-dimethylethyl)- Phosphonic acid, amide,N,N,P-trimethyl,ethyl ester O,O-diethyl phosphonothioic acid

Hetero-substituted ring assemblies

3-Azabiphenyl

Ring assemblies with functional groups but without enclosing marks

 
(S)-(-)-1,1'-Binaphthalene-2,2'-diol 2,2'-BIPYRIDINE-3,3'-DIOL  

Polyacyl polyhalides

1,2-Benzenedicarbonyl dichloride 1,3,5-Benzenetricarbonyl chloride Pentane-1,5-dicarbonyl chloride

Acyl substituted acid derivatives

 
2-Benzoylacetoanilide Calcium benzoyl-p-aminosalicylate  

Improved support for selenium substitution of oxygen atoms

4,4'-Biselenopyranylidene, 2,2',6,6'-tetramethyl- Carbamimidoselenoic acid Azidoselenol

Polymethylenes with attachments explicitly specified (with locants) at either end of the chain or with heteroatoms substituted within the chain

1,4-Tetramethylene glycol 1,6-Hexamethylene bis-methacrylamide 3,6,9-triazaundecamethylenediamine

Replacement nomenclature in unsaturated alkyl chains of more than 4 atoms with locants separating the 'a' replacement name from the alkyl chain

4,5-Dithia-1-Octene 4-Aza-3-heptene 6-Hydroxy-4-oxa-1-hexene

Improved support for homogeneous heterochains

Bis(trifluoromethyl)trisulfane Diarsine, tetraethyl- Dichlorine Phenol, 4,4'-(1,2-diarsenediyl)bis[2-amino- (2-Hydroxyphenylmethylene)azanol

Homogenous and alternating heterochains substituted by alkanes of more than 4 atoms

Hexapentyl distannoxane

xi (ξ) stereodescriptors

Ergosta-5,8,22-trien-7-one, 3-hydroxy-, (3beta,22E,24xi)- (5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate

Improved support for substitutents connected by a double bond to other substitutents that are themselves connected by a double bond to some other component

4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)dianiline monohydrochloride

Names followed by elemental analyses

Diethyltin dichloride, Cl 28.5% Perrhenic acid, Re 54-55% Trimethyloxonium tetrafluoroborate, C 24% min (Assay)