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

Systemtic Name: N,N-bis(2-ethylhexyl)carbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: N,N-bis(2-ethylhexyl)carbamodithioate; oxomolybdenum(4+); tetrasulfide CAS Name: N,N-bis(2-ethylhexyl)carbamodithioate; oxomolybdenum(4+); tetrasulfide IUPAC Name: N,N-bis(2-ethylhexyl)carbamodithioate; oxomolybdenum(4+); tetrasulfide Traditional Name: N,N-bis(2-ethylhexyl)carbamodithioate; ketomolybdenum(4+); tetrasulfide Formula: C68H136Mo3N4O3S12 MolecularWeight: 1730.43244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/4C17H35NS2.3Mo.3O.4S/c4*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;;;;;;;;;;/h4*15-16H,5-14H2,1-4H3,(H,19,20);;;;;;;;;;/q;;;;3*+4;;;;4*-2/p-4