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

Systemtic Name: [(E)-2-acetyloxy-4-oxidanylidene-4-propan-2-yloxy-but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-2-acetoxy-4-isopropoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-2-acetyloxy-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-2-acetyloxy-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-2-acetoxy-4-isopropoxy-4-keto-but-2-enyl]-triphenyl-phosphonium bromide Formula: C27H28BrO4P MolecularWeight: 527.386581

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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)OC(=O)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H28O4P.BrH/c1-21(2)30-27(29)19-23(31-22(3)28)20-32(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26;/h4-19,21H,20H2,1-3H3;1H/q+1;/p-1/b23-19+;