[4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]benzyl]-triphenyl-phosphonium bromide Formula: C31H30BrO2P MolecularWeight: 545.446461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30O2P.BrH/c1-3-33-31(32)23-25(2)27-21-19-26(20-22-27)24-34(28-13-7-4-8-14-28,29-15-9-5-10-16-29)30-17-11-6-12-18-30;/h4-23H,3,24H2,1-2H3;1H/q+1;/p-1/b25-23+;