copper; (E)-2-cyano-3-ethoxy-3-oxidanidyl-prop-2-enedithioate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: copper; (E)-2-cyano-3-ethoxy-3-oxidanidyl-prop-2-enedithioate; triphenyl-(phenylmethyl)phosphanium Openeye Name: copper; benzyl(triphenyl)phosphonium; (E)-2-cyano-3-ethoxy-3-oxido-prop-2-enedithioate CAS Name: copper; (E)-2-cyano-3-ethoxy-3-oxido-2-propenedithioate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: copper; benzyl(triphenyl)phosphanium; (E)-2-cyano-3-ethoxy-3-oxidoprop-2-enedithioate Traditional Name: cupric; benzyl(triphenyl)phosphonium; (E)-2-cyano-3-ethoxy-3-oxido-prop-2-enedithioate Formula: C37H32CuN2O4PS4- MolecularWeight: 791.440741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=S)[S-])[O-].CCOC(=C(C#N)C(=S)[S-])[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cu+2]

Isomeric SMILES

CCO/C(=C(/C(=S)[S-])\C#N)/[O-].CCO/C(=C(/C(=S)[S-])\C#N)/[O-].C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cu+2]

InChI

InChI=1S/C25H22P.2C6H7NO2S2.Cu/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-9-5(8)4(3-7)6(10)11;/h1-20H,21H2;2*8H,2H2,1H3,(H,10,11);/q+1;;;+2/p-4/b;2*5-4+;