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

Systemtic Name: bis(4-tert-butylphenoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane; oxidanylidenemolybdenum(4+) Openeye Name: bis(4-tert-butylphenoxy)-sulfido-thioxo-$l^{5}-phosphane; oxomolybdenum(4+) CAS Name: bis(4-tert-butylphenoxy)-sulfanylidene-sulfidophosphorane; oxomolybdenum(4+) IUPAC Name: bis(4-tert-butylphenoxy)-sulfanylidene-sulfido-$l^{5}-phosphane; oxomolybdenum(4+) Traditional Name: bis(4-tert-butylphenoxy)-sulfido-thioxo-phosphorane; ketomolybdenum(4+) Formula: C80H104MoO9P4S8 MolecularWeight: 1686.031404

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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-].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]

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-].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]

InChI

InChI=1S/4C20H27O2PS2.Mo.O/c4*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;;/h4*7-14H,1-6H3,(H,24,25);;/q;;;;+4;/p-4