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

Systemtic Name: bis(2-ethylhexoxy)-sulfanidyl-sulfanylidene-$l^{5}-phosphane; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: bis(2-ethylhexoxy)-sulfido-thioxo-$l^{5}-phosphane; oxomolybdenum(4+); tetrasulfide CAS Name: bis(2-ethylhexoxy)-sulfanylidene-sulfidophosphorane; oxomolybdenum(4+); tetrasulfide IUPAC Name: bis(2-ethylhexoxy)-sulfanylidene-sulfido-$l^{5}-phosphane; oxomolybdenum(4+); tetrasulfide Traditional Name: bis(2-ethylhexoxy)-sulfido-thioxo-phosphorane; ketomolybdenum(4+); tetrasulfide Formula: C64H136Mo3O11P4S12 MolecularWeight: 1878.253084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].CCCCC(CC)COP(=S)(OCC(CC)CCCC)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/4C16H35O2PS2.3Mo.3O.4S/c4*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;;;;;;;;;;/h4*15-16H,5-14H2,1-4H3,(H,20,21);;;;;;;;;;/q;;;;3*+4;;;;4*-2/p-4