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

Systemtic Name: [(2E)-3-methyl-1-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)penta-2,4-dienyl]-triphenyl-phosphanium bromide Openeye Name: [(2E)-1-(4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)-3-methyl-penta-2,4-dienyl]-triphenyl-phosphonium bromide CAS Name: [(2E)-1-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3-methylpenta-2,4-dienyl]-triphenylphosphonium bromide IUPAC Name: [(2E)-1-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3-methylpenta-2,4-dienyl]-triphenylphosphanium bromide Traditional Name: [(2E)-1-(4-hydroxy-3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-penta-2,4-dienyl]-triphenyl-phosphonium bromide Formula: C33H36BrO2P MolecularWeight: 575.515501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H36O2P.BrH/c1-6-24(2)22-30(31-25(3)32(35)29(34)23-33(31,4)5)36(26-16-10-7-11-17-26,27-18-12-8-13-19-27)28-20-14-9-15-21-28;/h6-22,29-30,34H,1,23H2,2-5H3;1H/q+1;/p-1/b24-22+;