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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; tris(4-acetyloxyphenyl)-methyl-phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; tris(4-acetoxyphenyl)-methyl-phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; tris(4-acetyloxyphenyl)-methylphosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; tris(4-acetyloxyphenyl)-methylphosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; tris(4-acetoxyphenyl)-methyl-phosphonium Formula: C39H45O10PS MolecularWeight: 736.807361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)[P+](C)(C2=CC=C(C=C2)OC(=O)C)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=C(C=C2)OC(=O)C)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/C25H24O6P.C14H22O4S/c1-17(26)29-20-5-11-23(12-6-20)32(4,24-13-7-21(8-14-24)30-18(2)27)25-15-9-22(10-16-25)31-19(3)28;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h5-16H,1-4H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1