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

Systemtic Name: N,N-dihexylcarbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: N,N-dihexylcarbamodithioate; oxomolybdenum(4+); tetrasulfide CAS Name: N,N-dihexylcarbamodithioate; oxomolybdenum(4+); tetrasulfide IUPAC Name: N,N-dihexylcarbamodithioate; oxomolybdenum(4+); tetrasulfide Traditional Name: N,N-dihexylcarbamodithioate; ketomolybdenum(4+); tetrasulfide Formula: C52H104Mo3N4O3S12 MolecularWeight: 1506.00716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)[S-].CCCCCCN(CCCCCC)C(=S)[S-].CCCCCCN(CCCCCC)C(=S)[S-].CCCCCCN(CCCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)[S-].CCCCCCN(CCCCCC)C(=S)[S-].CCCCCCN(CCCCCC)C(=S)[S-].CCCCCCN(CCCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/4C13H27NS2.3Mo.3O.4S/c4*1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2;;;;;;;;;;/h4*3-12H2,1-2H3,(H,15,16);;;;;;;;;;/q;;;;3*+4;;;;4*-2/p-4