N,N-di(tridecyl)carbamodithioate; oxidanylidenemolybdenum(4+)

Systemtic Name: N,N-di(tridecyl)carbamodithioate; oxidanylidenemolybdenum(4+) Openeye Name: N,N-di(tridecyl)carbamodithioate; oxomolybdenum(4+) CAS Name: N,N-di(tridecyl)carbamodithioate; oxomolybdenum(4+) IUPAC Name: N,N-di(tridecyl)carbamodithioate; oxomolybdenum(4+) Traditional Name: N,N-di(tridecyl)carbamodithioate; ketomolybdenum(4+) Formula: C108H216MoN4OS8 MolecularWeight: 1939.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].O=[Mo+4]

Isomeric SMILES

CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].CCCCCCCCCCCCCN(CCCCCCCCCCCCC)C(=S)[S-].O=[Mo+4]

InChI

InChI=1S/4C27H55NS2.Mo.O/c4*1-3-5-7-9-11-13-15-17-19-21-23-25-28(27(29)30)26-24-22-20-18-16-14-12-10-8-6-4-2;;/h4*3-26H2,1-2H3,(H,29,30);;/q;;;;+4;/p-4