bis(2-butylphenoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; oxidanylidenemolybdenum(4+); disulfide

Systemtic Name: bis(2-butylphenoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; oxidanylidenemolybdenum(4+); disulfide Openeye Name: bis(2-butylphenoxy)-sulfanyl-thioxo-$l^{5}-phosphane; oxomolybdenum(4+); disulfide CAS Name: bis(2-butylphenoxy)-mercapto-sulfanylidenephosphorane; oxomolybdenum(4+); disulfide IUPAC Name: bis(2-butylphenoxy)-sulfanyl-sulfanylidene-$l^{5}-phosphane; oxomolybdenum(4+); disulfide Traditional Name: bis(2-butylphenoxy)-mercapto-thioxo-phosphorane; ketomolybdenum(4+); disulfide Formula: C40H54MoO5P2S6 MolecularWeight: 965.131282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCC)S.CCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCC)S.O=[Mo+4].[S-2].[S-2]

Isomeric SMILES

CCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCC)S.CCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCC)S.O=[Mo+4].[S-2].[S-2]

InChI

InChI=1S/2C20H27O2PS2.Mo.O.2S/c2*1-3-5-11-17-13-7-9-15-19(17)21-23(24,25)22-20-16-10-8-14-18(20)12-6-4-2;;;;/h2*7-10,13-16H,3-6,11-12H2,1-2H3,(H,24,25);;;;/q;;+4;;2*-2