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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].O=[Mo+4]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].CC(C)(C)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(C)(C)C)C(=S)[S-].O=[Mo+4]

InChI

InChI=1S/4C21H27NS2.Mo.O/c4*1-20(2,3)15-7-11-17(12-8-15)22(19(23)24)18-13-9-16(10-14-18)21(4,5)6;;/h4*7-14H,1-6H3,(H,23,24);;/q;;;;+4;/p-4