N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; disulfide

Systemtic Name: N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; disulfide Openeye Name: N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; disulfide CAS Name: N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; disulfide IUPAC Name: N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; disulfide Traditional Name: N,N-bis(2-butylphenyl)carbamodithioate; molybdenum; disulfide Formula: C42H52MoN2S6-6 MolecularWeight: 873.20568

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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-].[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-].[S-2].[S-2].[Mo]

InChI

InChI=1S/2C21H27NS2.Mo.2S/c2*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;;;/h2*7-10,13-16H,3-6,11-12H2,1-2H3,(H,23,24);;;/q;;;2*-2/p-2