N,N-bis(2-nonylphenyl)carbamate; sulfanylidenemolybdenum(4+)

Systemtic Name: N,N-bis(2-nonylphenyl)carbamate; sulfanylidenemolybdenum(4+) Openeye Name: N,N-bis(2-nonylphenyl)carbamate; thioxomolybdenum(4+) CAS Name: N,N-bis(2-nonylphenyl)carbamate; sulfanylidenemolybdenum(4+) IUPAC Name: N,N-bis(2-nonylphenyl)carbamate; sulfanylidenemolybdenum(4+) Traditional Name: N,N-bis(2-nonylphenyl)carbamate; thioxomolybdenum(4+) Formula: C124H184MoN4O8S MolecularWeight: 1986.81476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].S=[Mo+4]

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].CCCCCCCCCC1=CC=CC=C1N(C2=CC=CC=C2CCCCCCCCC)C(=O)[O-].S=[Mo+4]

InChI

InChI=1S/4C31H47NO2.Mo.S/c4*1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32(31(33)34)30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;/h4*17-20,23-26H,3-16,21-22H2,1-2H3,(H,33,34);;/q;;;;+4;/p-4