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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=S)(OCCCCCCCC)[S-].CCCCCCCCOP(=S)(OCCCCCCCC)[S-].CCCCCCCCOP(=S)(OCCCCCCCC)[S-].CCCCCCCCOP(=S)(OCCCCCCCC)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

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