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

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]benzyl]-triphenyl-phosphonium bromide Formula: C31H27BrNO2P MolecularWeight: 556.429341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N.[Br-]

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C#N.[Br-]

InChI

InChI=1S/C31H27NO2P.BrH/c1-2-34-31(33)27(23-32)22-25-18-20-26(21-19-25)24-35(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30;/h3-22H,2,24H2,1H3;1H/q+1;/p-1/b27-22+;