[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl-ethyl-diphenyl-phosphanium bromide

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl-ethyl-diphenyl-phosphanium bromide Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl-ethyl-diphenyl-phosphonium bromide CAS Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl-ethyl-diphenylphosphonium bromide IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl-ethyl-diphenylphosphanium bromide Traditional Name: [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]benzyl]-ethyl-diphenyl-phosphonium bromide Formula: C27H27BrNO2P MolecularWeight: 508.386541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C[P+](CC)(C2=CC=CC=C2)C3=CC=CC=C3)C#N.[Br-]

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)C[P+](CC)(C2=CC=CC=C2)C3=CC=CC=C3)/C#N.[Br-]

InChI

InChI=1S/C27H27NO2P.BrH/c1-3-30-27(29)24(20-28)19-22-15-17-23(18-16-22)21-31(4-2,25-11-7-5-8-12-25)26-13-9-6-10-14-26;/h5-19H,3-4,21H2,1-2H3;1H/q+1;/p-1/b24-19+;