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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C(C)(C)C)S.CC(C)(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C(C)(C)C)S.O=[Mo+4].[S-2].[S-2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C(C)(C)C)S.CC(C)(C)C1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)C(C)(C)C)S.O=[Mo+4].[S-2].[S-2]

InChI

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