[(E)-4,4-dimethyl-6-oxidanylidene-hept-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-4,4-dimethyl-6-oxidanylidene-hept-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4,4-dimethyl-6-oxo-hept-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-4,4-dimethyl-6-oxohept-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-4,4-dimethyl-6-oxohept-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-6-keto-4,4-dimethyl-hept-2-enyl]-triphenyl-phosphonium bromide Formula: C27H30BrOP MolecularWeight: 481.404261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30OP.BrH/c1-23(28)22-27(2,3)20-13-21-29(24-14-7-4-8-15-24,25-16-9-5-10-17-25)26-18-11-6-12-19-26;/h4-20H,21-22H2,1-3H3;1H/q+1;/p-1/b20-13+;