N,N-dipentylcarbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide

Systemtic Name: N,N-dipentylcarbamodithioate; oxidanylidenemolybdenum(4+); tetrasulfide Openeye Name: N,N-dipentylcarbamodithioate; oxomolybdenum(4+); tetrasulfide CAS Name: N,N-dipentylcarbamodithioate; oxomolybdenum(4+); tetrasulfide IUPAC Name: N,N-dipentylcarbamodithioate; oxomolybdenum(4+); tetrasulfide Traditional Name: N,N-diamylcarbamodithioate; ketomolybdenum(4+); tetrasulfide Formula: C44H88Mo3N4O3S12 MolecularWeight: 1393.79452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

Isomeric SMILES

CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].CCCCCN(CCCCC)C(=S)[S-].O=[Mo+4].O=[Mo+4].O=[Mo+4].[S-2].[S-2].[S-2].[S-2]

InChI

InChI=1S/4C11H23NS2.3Mo.3O.4S/c4*1-3-5-7-9-12(11(13)14)10-8-6-4-2;;;;;;;;;;/h4*3-10H2,1-2H3,(H,13,14);;;;;;;;;;/q;;;;3*+4;;;;4*-2/p-4