molybdenum; oxidanyl N,N-bis(2-nonylphenyl)carbamodithioate; trisulfide

Systemtic Name: molybdenum; oxidanyl N,N-bis(2-nonylphenyl)carbamodithioate; trisulfide Openeye Name: hydroxy N,N-bis(2-nonylphenyl)carbamodithioate; molybdenum; trisulfide CAS Name: molybdenum; (2-nonyl-N-(2-nonylphenyl)anilino)-sulfanylidenemethanesulfenic acid; trisulfide IUPAC Name: hydroxy N,N-bis(2-nonylphenyl)carbamodithioate; molybdenum; trisulfide Traditional Name: N,N-bis(2-nonylphenyl)carbamodithioic acid hydroxy ester; molybdenum; trisulfide Formula: C93H141MoN3O3S9-6 MolecularWeight: 1733.65794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C31H47NOS2.Mo.3S/c3*1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32(31(34)35-33)30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;;;/h3*17-20,23-26,33H,3-16,21-22H2,1-2H3;;;;/q;;;;3*-2