(E)-N-(2-butylsulfanyl-2-sulfanyl-1-triphenylphosphaniumyl-ethenyl)benzenecarboximidate

Systemtic Name: (E)-N-(2-butylsulfanyl-2-sulfanyl-1-triphenylphosphaniumyl-ethenyl)benzenecarboximidate Openeye Name: (E)-N-(2-butylsulfanyl-2-sulfanyl-1-triphenylphosphaniumyl-vinyl)benzenecarboximidate CAS Name: (E)-N-[2-(butylthio)-2-mercapto-1-triphenylphosphiniumylethenyl]benzenecarboximidate IUPAC Name: (E)-N-(2-butylsulfanyl-2-sulfanyl-1-triphenylphosphaniumylethenyl)benzenecarboximidate Traditional Name: (E)-N-[2-(butylthio)-2-mercapto-1-triphenylphosphiniumyl-vinyl]benzenecarboximidate Formula: C31H30NOPS2 MolecularWeight: 527.679761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C(N=C(C1=CC=CC=C1)[O-])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S

Isomeric SMILES

CCCCSC(=C(/N=C(\C1=CC=CC=C1)/[O-])[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C31H30NOPS2/c1-2-3-24-36-31(35)30(32-29(33)25-16-8-4-9-17-25)34(26-18-10-5-11-19-26,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23H,2-3,24H2,1H3,(H-,32,33,35)