N,N-bis(11-methyldodecyl)carbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide

Systemtic Name: N,N-bis(11-methyldodecyl)carbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: N,N-bis(11-methyldodecyl)carbamodithioate; oxomolybdenum(4+); tetrasulfide CAS Name: N,N-bis(11-methyldodecyl)carbamodithioate; oxomolybdenum(4+); tetrasulfide IUPAC Name: N,N-bis(11-methyldodecyl)carbamodithioate; oxomolybdenum(4+); tetrasulfide Traditional Name: N,N-bis(11-methyldodecyl)carbamodithioate; ketomolybdenum(4+); tetrasulfide Formula: C108H216Mo3N4O3S12 MolecularWeight: 2291.49564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

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