[(E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)pent-2-en-4-ynyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)pent-2-en-4-ynyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-5-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphonium bromide CAS Name: [(E)-5-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-methylpent-2-en-4-ynyl]-triphenylphosphonium bromide IUPAC Name: [(E)-5-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3-methylpent-2-en-4-ynyl]-triphenylphosphanium bromide Traditional Name: [(E)-5-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphonium bromide Formula: C33H36BrOP MolecularWeight: 559.516101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(CC(C1)O)(C)C)C#C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/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;/h5-19,22,28,34H,23-25H2,1-4H3;1H/q+1;/p-1/b26-22+;