bis(2-butylphenyl)carbamodithioic acid; molybdenum; trisulfide

Systemtic Name: bis(2-butylphenyl)carbamodithioic acid; molybdenum; trisulfide Openeye Name: bis(2-butylphenyl)carbamodithioic acid; molybdenum; trisulfide CAS Name: bis(2-butylphenyl)carbamodithioic acid; molybdenum; trisulfide IUPAC Name: bis(2-butylphenyl)carbamodithioic acid; molybdenum; trisulfide Traditional Name: bis(2-butylphenyl)carbamodithioic acid; molybdenum; trisulfide Formula: C63H81MoN3S9-6 MolecularWeight: 1264.86234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)S.CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)S.CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)S.[S-2].[S-2].[S-2].[Mo]

Isomeric SMILES

CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)S.CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)S.CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)S.[S-2].[S-2].[S-2].[Mo]

InChI

InChI=1S/3C21H27NS2.Mo.3S/c3*1-3-5-11-17-13-7-9-15-19(17)22(21(23)24)20-16-10-8-14-18(20)12-6-4-2;;;;/h3*7-10,13-16H,3-6,11-12H2,1-2H3,(H,23,24);;;;/q;;;;3*-2