[2-(3,3-dimethylbutanoyloxy)phenyl]-[(3-methoxycarbonylphenyl)methyl]-diphenyl-phosphanium bromide

Systemtic Name: [2-(3,3-dimethylbutanoyloxy)phenyl]-[(3-methoxycarbonylphenyl)methyl]-diphenyl-phosphanium bromide Openeye Name: [2-(3,3-dimethylbutanoyloxy)phenyl]-[(3-methoxycarbonylphenyl)methyl]-diphenyl-phosphonium bromide CAS Name: [2-(3,3-dimethyl-1-oxobutoxy)phenyl]-[(3-methoxycarbonylphenyl)methyl]-diphenylphosphonium bromide IUPAC Name: [2-(3,3-dimethylbutanoyloxy)phenyl]-[(3-methoxycarbonylphenyl)methyl]-diphenylphosphanium bromide Traditional Name: (3-carbomethoxybenzyl)-[2-(3,3-dimethylbutanoyloxy)phenyl]-diphenyl-phosphonium bromide Formula: C33H34BrO4P MolecularWeight: 605.498421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=CC=CC=C1[P+](CC2=CC=CC(=C2)C(=O)OC)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(C)(C)CC(=O)OC1=CC=CC=C1[P+](CC2=CC=CC(=C2)C(=O)OC)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C33H34O4P.BrH/c1-33(2,3)23-31(34)37-29-20-11-12-21-30(29)38(27-16-7-5-8-17-27,28-18-9-6-10-19-28)24-25-14-13-15-26(22-25)32(35)36-4;/h5-22H,23-24H2,1-4H3;1H/q+1;/p-1