bis(2-nonylphenyl)carbamodithioic acid; oxidanylidenemolybdenum(4+); disulfide

Systemtic Name: bis(2-nonylphenyl)carbamodithioic acid; oxidanylidenemolybdenum(4+); disulfide Openeye Name: bis(2-nonylphenyl)carbamodithioic acid; oxomolybdenum(4+); disulfide CAS Name: bis(2-nonylphenyl)carbamodithioic acid; oxomolybdenum(4+); disulfide IUPAC Name: bis(2-nonylphenyl)carbamodithioic acid; oxomolybdenum(4+); disulfide Traditional Name: bis(2-nonylphenyl)carbamodithioic acid; ketomolybdenum(4+); disulfide Formula: C62H94MoN2OS6 MolecularWeight: 1171.75256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=S)S.CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=S)S.O=[Mo+4].[S-2].[S-2]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=S)S.CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=S)S.O=[Mo+4].[S-2].[S-2]

InChI

InChI=1S/2C31H47NS2.Mo.O.2S/c2*1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32(31(33)34)30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;;;/h2*17-20,23-26H,3-16,21-22H2,1-2H3,(H,33,34);;;;/q;;+4;;2*-2