bis(2-nonylphenoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane; oxidanylidenemolybdenum(4+)

Systemtic Name: bis(2-nonylphenoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane; oxidanylidenemolybdenum(4+) Openeye Name: bis(2-nonylphenoxy)-sulfido-thioxo-$l^{5}-phosphane; oxomolybdenum(4+) CAS Name: bis(2-nonylphenoxy)-sulfanylidene-sulfidophosphorane; oxomolybdenum(4+) IUPAC Name: bis(2-nonylphenoxy)-sulfanylidene-sulfido-$l^{5}-phosphane; oxomolybdenum(4+) Traditional Name: bis(2-nonylphenoxy)-sulfido-thioxo-phosphorane; ketomolybdenum(4+) Formula: C120H184MoO9P4S8 MolecularWeight: 2247.094604

Click to see the large picture

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-].CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)[S-].O=[Mo+4]

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-].CCCCCCCCCC1=CC=CC=C1OP(=S)(OC2=CC=CC=C2CCCCCCCCC)[S-].O=[Mo+4]

InChI

InChI=1S/4C30H47O2PS2.Mo.O/c4*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;;/h4*17-20,23-26H,3-16,21-22H2,1-2H3,(H,34,35);;/q;;;;+4;/p-4