[(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenyl-hex-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenyl-hex-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenyl-hex-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenylhex-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E,4S,5S)-5-methoxy-2,4-dimethyl-6-phenyl-hex-2-enyl]-triphenyl-phosphonium bromide Formula: C33H36BrOP MolecularWeight: 559.516101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(CC4=CC=CC=C4)OC.[Br-]

Isomeric SMILES

C[C@@H](/C=C(\C)/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)[C@H](CC4=CC=CC=C4)OC.[Br-]

InChI

InChI=1S/C33H36OP.BrH/c1-27(24-28(2)33(34-3)25-29-16-8-4-9-17-29)26-35(30-18-10-5-11-19-30,31-20-12-6-13-21-31)32-22-14-7-15-23-32;/h4-24,28,33H,25-26H2,1-3H3;1H/q+1;/p-1/b27-24+;/t28-,33-;/m0./s1