molybdenum; oxidanyl N,N-bis(2-butylphenyl)carbamodithioate; trisulfide

Systemtic Name: molybdenum; oxidanyl N,N-bis(2-butylphenyl)carbamodithioate; trisulfide Openeye Name: hydroxy N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; trisulfide CAS Name: (2-butyl-N-(2-butylphenyl)anilino)-sulfanylidenemethanesulfenic acid; molybdenum; trisulfide IUPAC Name: hydroxy N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; trisulfide Traditional Name: N,N-bis(2-butylphenyl)carbamodithioic acid hydroxy ester; molybdenum; trisulfide Formula: C63H81MoN3O3S9-6 MolecularWeight: 1312.86054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C21H27NOS2.Mo.3S/c3*1-3-5-11-17-13-7-9-15-19(17)22(21(24)25-23)20-16-10-8-14-18(20)12-6-4-2;;;;/h3*7-10,13-16,23H,3-6,11-12H2,1-2H3;;;;/q;;;;3*-2