[(E)-2-bromanyl-4-oxidanylidene-4-propan-2-yloxy-but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-2-bromanyl-4-oxidanylidene-4-propan-2-yloxy-but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-2-bromo-4-isopropoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-2-bromo-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-2-bromo-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-2-bromo-4-isopropoxy-4-keto-but-2-enyl]-triphenyl-phosphonium bromide Formula: C25H25Br2O2P MolecularWeight: 548.246561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO2P.BrH/c1-20(2)28-25(27)18-21(26)19-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-18,20H,19H2,1-2H3;1H/q+1;/p-1/b21-18+;