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

Systemtic Name: bis(4-acetyloxyphenyl)-methyl-phenyl-phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: bis(4-acetoxyphenyl)-methyl-phenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: bis(4-acetyloxyphenyl)-methyl-phenylphosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: bis(4-acetyloxyphenyl)-methyl-phenylphosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: bis(4-acetoxyphenyl)-methyl-phenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C37H43O8PS MolecularWeight: 678.771281

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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=C(C=C3)OC(=O)C.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=C(C=C3)OC(=O)C.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C23H22O4P.C14H22O4S/c1-17(24)26-19-9-13-22(14-10-19)28(3,21-7-5-4-6-8-21)23-15-11-20(12-16-23)27-18(2)25;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h4-16H,1-3H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1