N,N-dioctylcarbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide

Systemtic Name: N,N-dioctylcarbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: N,N-dioctylcarbamodithioate; oxomolybdenum(4+); tetrasulfide CAS Name: N,N-dioctylcarbamodithioate; oxomolybdenum(4+); tetrasulfide IUPAC Name: N,N-dioctylcarbamodithioate; oxomolybdenum(4+); tetrasulfide Traditional Name: N,N-dioctylcarbamodithioate; ketomolybdenum(4+); tetrasulfide Formula: C68H136Mo3N4O3S12 MolecularWeight: 1730.43244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=S)[S-].CCCCCCCCN(CCCCCCCC)C(=S)[S-].CCCCCCCCN(CCCCCCCC)C(=S)[S-].CCCCCCCCN(CCCCCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=S)[S-].CCCCCCCCN(CCCCCCCC)C(=S)[S-].CCCCCCCCN(CCCCCCCC)C(=S)[S-].CCCCCCCCN(CCCCCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/4C17H35NS2.3Mo.3O.4S/c4*1-3-5-7-9-11-13-15-18(17(19)20)16-14-12-10-8-6-4-2;;;;;;;;;;/h4*3-16H2,1-2H3,(H,19,20);;;;;;;;;;/q;;;;3*+4;;;;4*-2/p-4