[(2E,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienyl]-triphenyl-phosphanium bromide

Systemtic Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienyl]-triphenyl-phosphanium bromide Openeye Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)penta-2,4-dienyl]-triphenyl-phosphonium bromide CAS Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)penta-2,4-dienyl]-triphenylphosphonium bromide IUPAC Name: [(2E,4E)-3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)penta-2,4-dienyl]-triphenylphosphanium bromide Traditional Name: [(2E,4E)-5-(4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienyl]-triphenyl-phosphonium bromide Formula: C33H36BrOP MolecularWeight: 559.516101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)(C)C.[Br-]

Isomeric SMILES

CC1=CC(=O)CC(C1/C=C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C)(C)C.[Br-]

InChI

InChI=1S/C33H36OP.BrH/c1-26(20-21-32-27(2)24-28(34)25-33(32,3)4)22-23-35(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31;/h5-22,24,32H,23,25H2,1-4H3;1H/q+1;/p-1/b21-20+,26-22+;