ACD/Name

What's New

Version 7.0 to 8.0

1. Produce structure and source based names for polymer structures
2. Generate names of coordination compounds including:
   • Neutral and anionic compounds
   • - and -conventions to specify a coordination
   • Cyclopentadienyl complexes like ferrocenes
3. Expanded naming of natural and biochemical compounds to include:
   • Porphyrins, phthalocyanines, porphyrazines, and phorbines
   • Nucleotides and nucleosides

1. Produce Structure and Source Based Names for Polymer Structures

ACD/Name now supports the naming of polymers. Depending on the way the polymer is drawn, the program will generate a structure-based or a source-based name.

For example:

IUPAC Name	poly[(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl(1,3-dioxo-1,3- dihydro-2H-isoindole-5,2-diyl)-4,1-phenylene(phenylimino)-4,1-phenylene]
Index Name	poly[(1,3-dihydro-1,3-dioxo-2H-isoindole-2,5-diyl)carbonyl(1,3-dihydro-1,3- dioxo-2H-isoindole-5,2-diyl)-4,1-phenylene(phenylimino)-4,1-phenylene]

IUPAC Name	poly[(methyl 2-methylacrylate)-co-acrylonitrile]
Index Name	2-propenoic acid, 2-methyl-, methyl ester, polymer with 2-propenenitrile

2. Generate Names of Coordination Compounds

ACD/Name supports the naming of mononuclear coordination compounds. Coordination is specified according to - or -conventions depending on the ligand nature.

For example:

IUPAC Name	bis(cyano-C)[2,3,7,8,12,13,17,18-octamethylporphyrinato(2-)- N21,N22,N23,N24]chromate(1-)
Index Name	chromate(1-), bis(cyano-C)[2,3,7,8,12,13,17,18-octamethyl- 21H,23H-porphinato(2-)-N21,N22,N23,N24]-

IUPAC Name	[(2,3-)-2-butene](carbonyl)dichloro(triphenylphosphine)rhodium
Index Name	rhodium, [(2,3-)-2-butene]carbonyldichloro(triphenylphosphine)-

IUPAC Name	acetyl(cyano-C)bis(5-cyclopentadienyl)ruthenate(2-)
Index Name	ruthenate(2-), acetyl(cyano-C)bis(5-2,4-cyclopentadien-1-yl)-

3. Expanded Naming of Natural and Biochemical Compounds

The new version of ACD/Name supports naming of porphyrins, phthalocyanines, porphyrazines, phorbines, and their derivatives.

For example:

IUPAC Name	dimethyl 3,3'-(7,12-diethyl-3,8,13,17-tetramethyl-2,18-porphyrindiyl)dipropanoate
Index Name	21H,23H-porphine-2,18-dipropanoic acid, 7,12-diethyl-3,8,13,17-tetramethyl-, dimethyl ester

Also, ACD/Name recognizes nucleosides, nucleotides, and some of their derivatives. The following seven basic nucleosides and their derivatives are supported:

IUPAC Name	2'-deoxy-2'-fluoro-8-methyladenosine 5'- (trihydrogen diphosphate)	5'-O-acetyl-5-methyl-2',3'-O-(1- methylethylidene)cytidine
Index Name	adenosine, 2'-deoxy-2'-fluoro-8-methyl-, 5'-(trihydrogen diphosphate)	cytidine, 5-methyl-2',3'-O-(1- methylethylidene)-, 5'-acetate