[2-[4-cyano-2-(4-methoxyphenyl)carbonyl-phenyl]-5-methoxy-3-methyl-phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-[4-cyano-2-(4-methoxyphenyl)carbonyl-phenyl]-5-methoxy-3-methyl-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-[4-cyano-2-(4-methoxybenzoyl)phenyl]-5-methoxy-3-methyl-phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[4-cyano-2-[(4-methoxyphenyl)-oxomethyl]phenyl]-5-methoxy-3-methylphenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-[4-cyano-2-(4-methoxybenzoyl)phenyl]-5-methoxy-3-methylphenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-(4-cyano-2-p-anisoyl-phenyl)-5-methoxy-3-methyl-benzyl]-triphenyl-phosphonium bromide Formula: C42H35BrNO3P MolecularWeight: 712.609961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=C(C=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)OC)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC.[Br-]

Isomeric SMILES

CC1=CC(=CC(=C1C2=C(C=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)OC)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC.[Br-]

InChI

InChI=1S/C42H35NO3P.BrH/c1-30-25-35(46-3)27-33(41(30)39-24-19-31(28-43)26-40(39)42(44)32-20-22-34(45-2)23-21-32)29-47(36-13-7-4-8-14-36,37-15-9-5-10-16-37)38-17-11-6-12-18-38;/h4-27H,29H2,1-3H3;1H/q+1;/p-1