[(E)-5-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-5-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-5-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphonium bromide CAS Name: [(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-en-4-ynyl]-triphenylphosphonium bromide IUPAC Name: [(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-en-4-ynyl]-triphenylphosphanium bromide Traditional Name: [(E)-5-(4-methoxy-2,3,6-trimethyl-phenyl)-3-methyl-pent-2-en-4-ynyl]-triphenyl-phosphonium bromide Formula: C34H34BrOP MolecularWeight: 569.510921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C#CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)C)OC.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1C#C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C)C)C)OC.[Br-]

InChI

InChI=1S/C34H34OP.BrH/c1-26(21-22-33-27(2)25-34(35-5)29(4)28(33)3)23-24-36(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;/h6-20,23,25H,24H2,1-5H3;1H/q+1;/p-1/b26-23+;