(4-acetyloxyphenyl)-methyl-diphenyl-phosphanium; 4-methylbenzenesulfonate

Systemtic Name: (4-acetyloxyphenyl)-methyl-diphenyl-phosphanium; 4-methylbenzenesulfonate Openeye Name: (4-acetoxyphenyl)-methyl-diphenyl-phosphonium; 4-methylbenzenesulfonate CAS Name: (4-acetyloxyphenyl)-methyl-diphenylphosphonium; 4-methylbenzenesulfonate IUPAC Name: (4-acetyloxyphenyl)-methyl-diphenylphosphanium; 4-methylbenzenesulfonate Traditional Name: (4-acetoxyphenyl)-methyl-diphenyl-phosphonium tosylate Formula: C28H27O5PS MolecularWeight: 506.549741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OC1=CC=C(C=C1)[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OC1=CC=C(C=C1)[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20O2P.C7H8O3S/c1-17(22)23-18-13-15-21(16-14-18)24(2,19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-16H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1