(3,4-dimethylcyclohex-3-en-1-yl)-triphenyl-phosphanium bromide

Systemtic Name: (3,4-dimethylcyclohex-3-en-1-yl)-triphenyl-phosphanium bromide Openeye Name: (3,4-dimethylcyclohex-3-en-1-yl)-triphenyl-phosphonium bromide CAS Name: (3,4-dimethyl-1-cyclohex-3-enyl)-triphenylphosphonium bromide IUPAC Name: (3,4-dimethylcyclohex-3-en-1-yl)-triphenylphosphanium bromide Traditional Name: (3,4-dimethylcyclohex-3-en-1-yl)-triphenyl-phosphonium bromide Formula: C26H28BrP MolecularWeight: 451.378281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28P.BrH/c1-21-18-19-26(20-22(21)2)27(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25;/h3-17,26H,18-20H2,1-2H3;1H/q+1;/p-1