triphenyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]phosphanium bromide

Systemtic Name: triphenyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]phosphanium bromide Openeye Name: [(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]-triphenyl-phosphonium bromide CAS Name: triphenyl-[(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-yl]phosphonium bromide IUPAC Name: triphenyl-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]phosphanium bromide Traditional Name: [(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)allyl]-triphenyl-phosphonium bromide Formula: C31H36BrP MolecularWeight: 519.495301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C31H36P.BrH/c1-25-15-14-24-31(3,4)30(25)23-22-26(2)32(27-16-8-5-9-17-27,28-18-10-6-11-19-28)29-20-12-7-13-21-29;/h5-13,16-23,26H,14-15,24H2,1-4H3;1H/q+1;/p-1/b23-22+;