N,N-bis(2-butylphenyl)carbamodithioate; oxidanylidenemolybdenum(4+)

Systemtic Name: N,N-bis(2-butylphenyl)carbamodithioate; oxidanylidenemolybdenum(4+) Openeye Name: N,N-bis(2-butylphenyl)carbamodithioate; oxomolybdenum(4+) CAS Name: N,N-bis(2-butylphenyl)carbamodithioate; oxomolybdenum(4+) IUPAC Name: N,N-bis(2-butylphenyl)carbamodithioate; oxomolybdenum(4+) Traditional Name: N,N-bis(2-butylphenyl)carbamodithioate; ketomolybdenum(4+) Formula: C84H104MoN4OS8 MolecularWeight: 1538.21076

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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-].CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)[S-].O=[Mo+4]

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-].CCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCC)C(=S)[S-].O=[Mo+4]

InChI

InChI=1S/4C21H27NS2.Mo.O/c4*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;;/h4*7-10,13-16H,3-6,11-12H2,1-2H3,(H,23,24);;/q;;;;+4;/p-4