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

Systemtic Name: N,N-bis(2-ethylhexyl)carbamodithioate; sulfanylidenemolybdenum(4+) Openeye Name: N,N-bis(2-ethylhexyl)carbamodithioate; thioxomolybdenum(4+) CAS Name: N,N-bis(2-ethylhexyl)carbamodithioate; sulfanylidenemolybdenum(4+) IUPAC Name: N,N-bis(2-ethylhexyl)carbamodithioate; sulfanylidenemolybdenum(4+) Traditional Name: N,N-bis(2-ethylhexyl)carbamodithioate; thioxomolybdenum(4+) Formula: C68H136MoN4S9 MolecularWeight: 1394.35924

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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-].S=[Mo+4]

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-].S=[Mo+4]

InChI

InChI=1S/4C17H35NS2.Mo.S/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;;;;+4;/p-4