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

Systemtic Name: N,N-didodecylcarbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: N,N-didodecylcarbamodithioate; oxomolybdenum(4+); tetrasulfide CAS Name: N,N-didodecylcarbamodithioate; oxomolybdenum(4+); tetrasulfide IUPAC Name: N,N-didodecylcarbamodithioate; oxomolybdenum(4+); tetrasulfide Traditional Name: N,N-dilaurylcarbamodithioate; ketomolybdenum(4+); tetrasulfide Formula: C100H200Mo3N4O3S12 MolecularWeight: 2179.283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/4C25H51NS2.3Mo.3O.4S/c4*1-3-5-7-9-11-13-15-17-19-21-23-26(25(27)28)24-22-20-18-16-14-12-10-8-6-4-2;;;;;;;;;;/h4*3-24H2,1-2H3,(H,27,28);;;;;;;;;;/q;;;;3*+4;;;;4*-2/p-4