(4-acetyloxyphenyl)-methyl-diphenyl-phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate

Systemtic Name: (4-acetyloxyphenyl)-methyl-diphenyl-phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: (4-acetoxyphenyl)-methyl-diphenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: (4-acetyloxyphenyl)-methyl-diphenylphosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: (4-acetyloxyphenyl)-methyl-diphenylphosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: (4-acetoxyphenyl)-methyl-diphenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C35H41O6PS MolecularWeight: 620.735201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C21H20O2P.C14H22O4S/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;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h3-16H,1-2H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1