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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O6P.C14H22O4S/c1-29-23(26)17-5-11-20(12-6-17)32(4,21-13-7-18(8-14-21)24(27)30-2)22-15-9-19(10-16-22)25(28)31-3;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