(2-acetyloxyphenyl)-triphenyl-phosphanium benzoate

Systemtic Name: (2-acetyloxyphenyl)-triphenyl-phosphanium benzoate Openeye Name: (2-acetoxyphenyl)-triphenyl-phosphonium benzoate CAS Name: (2-acetyloxyphenyl)-triphenylphosphonium benzoate IUPAC Name: (2-acetyloxyphenyl)-triphenylphosphanium benzoate Traditional Name: (2-acetoxyphenyl)-triphenyl-phosphonium benzoate Formula: C33H27O4P MolecularWeight: 518.538841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22O2P.C7H6O2/c1-21(27)28-25-19-11-12-20-26(25)29(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24;8-7(9)6-4-2-1-3-5-6/h2-20H,1H3;1-5H,(H,8,9)/q+1;/p-1