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

Systemtic Name: [2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-[(E)-3-keto-3-methoxy-prop-1-enyl]benzyl]-triphenyl-phosphonium bromide Formula: C29H26BrO2P MolecularWeight: 517.393301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)/C=C/C1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H26O2P.BrH/c1-31-29(30)22-21-24-13-11-12-14-25(24)23-32(26-15-5-2-6-16-26,27-17-7-3-8-18-27)28-19-9-4-10-20-28;/h2-22H,23H2,1H3;1H/q+1;/p-1/b22-21+;