bis(2-nonylphenyl)carbamodithioic acid; molybdenum; trisulfide

Systemtic Name: bis(2-nonylphenyl)carbamodithioic acid; molybdenum; trisulfide Openeye Name: bis(2-nonylphenyl)carbamodithioic acid; molybdenum; trisulfide CAS Name: bis(2-nonylphenyl)carbamodithioic acid; molybdenum; trisulfide IUPAC Name: bis(2-nonylphenyl)carbamodithioic acid; molybdenum; trisulfide Traditional Name: bis(2-nonylphenyl)carbamodithioic acid; molybdenum; trisulfide Formula: C93H141MoN3S9-6 MolecularWeight: 1685.65974

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

Isomeric SMILES

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

InChI

InChI=1S/3C31H47NS2.Mo.3S/c3*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;;;;/h3*17-20,23-26H,3-16,21-22H2,1-2H3,(H,33,34);;;;/q;;;;3*-2