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

Systemtic Name: [(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynyl]-triphenyl-phosphonium bromide CAS Name: [(E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)pent-2-en-4-ynyl]-triphenylphosphonium bromide IUPAC Name: [(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynyl]-triphenylphosphanium bromide Traditional Name: [(E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynyl]-triphenyl-phosphonium bromide Formula: C33H36BrP MolecularWeight: 543.516701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(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(CCC1)(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/C33H36P.BrH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,16-21,24H,14-15,25-26H2,1-4H3;1H/q+1;/p-1/b27-24+;