bis(2-nonylphenoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; molybdenum; trisulfide

Systemtic Name: bis(2-nonylphenoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; molybdenum; trisulfide Openeye Name: bis(2-nonylphenoxy)-sulfanyl-thioxo-$l^{5}-phosphane; molybdenum; trisulfide CAS Name: mercapto-bis(2-nonylphenoxy)-sulfanylidenephosphorane; molybdenum; trisulfide IUPAC Name: bis(2-nonylphenoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; molybdenum; trisulfide Traditional Name: mercapto-bis(2-nonylphenoxy)-thioxo-phosphorane; molybdenum; trisulfide Formula: C90H141MoO6P3S9-6 MolecularWeight: 1796.525223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)S.CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)S.CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)S.[S-2].[S-2].[S-2].[Mo]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)S.CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)S.CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)S.[S-2].[S-2].[S-2].[Mo]

InChI

InChI=1S/3C30H47O2PS2.Mo.3S/c3*1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-33(34,35)32-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;;;/h3*17-20,23-26H,3-16,21-22H2,1-2H3,(H,34,35);;;;/q;;;;3*-2