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

Systemtic Name: [(E)-4-methyl-3-oxidanylidene-pent-1-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4-methyl-3-oxo-pent-1-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-4-methyl-3-oxopent-1-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-4-methyl-3-oxopent-1-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-3-keto-4-methyl-pent-1-enyl]-triphenyl-phosphonium bromide Formula: C24H24BrOP MolecularWeight: 439.324521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24OP.BrH/c1-20(2)24(25)18-19-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-20H,1-2H3;1H/q+1;/p-1/b19-18+;