[(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4,4-dimethyl-3-oxo-pent-1-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-4,4-dimethyl-3-oxopent-1-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-4,4-dimethyl-3-oxopent-1-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-3-keto-4,4-dimethyl-pent-1-enyl]-triphenyl-phosphonium bromide Formula: C25H26BrOP MolecularWeight: 453.351101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26OP.BrH/c1-25(2,3)24(26)19-20-27(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-20H,1-3H3;1H/q+1;/p-1/b20-19+;