dioctadecylcarbamodithioic acid; molybdenum; trisulfide

Systemtic Name: dioctadecylcarbamodithioic acid; molybdenum; trisulfide Openeye Name: dioctadecylcarbamodithioic acid; molybdenum; trisulfide CAS Name: dioctadecylcarbamodithioic acid; molybdenum; trisulfide IUPAC Name: dioctadecylcarbamodithioic acid; molybdenum; trisulfide Traditional Name: distearylcarbamodithioic acid; molybdenum; trisulfide Formula: C111H225MoN3S9-6 MolecularWeight: 1986.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=S)S.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=S)S.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=S)S.[S-2].[S-2].[S-2].[Mo]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=S)S.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=S)S.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=S)S.[S-2].[S-2].[S-2].[Mo]

InChI

InChI=1S/3C37H75NS2.Mo.3S/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(37(39)40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;;/h3*3-36H2,1-2H3,(H,39,40);;;;/q;;;;3*-2