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

Systemtic Name: [3,5-bis(4-methoxycarbonylphenyl)phenyl]-methyl-phenyl-phosphanium; 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate Openeye Name: [3,5-bis(4-methoxycarbonylphenyl)phenyl]-methyl-phenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-benzenesulfonate CAS Name: [3,5-bis(4-methoxycarbonylphenyl)phenyl]-methyl-phenylphosphonium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate IUPAC Name: [3,5-bis(4-methoxycarbonylphenyl)phenyl]-methyl-phenylphosphanium; 3,5-ditert-butyl-4-hydroxybenzenesulfonate Traditional Name: [3,5-bis(4-carbomethoxyphenyl)phenyl]-methyl-phenyl-phosphonium; 3,5-ditert-butyl-4-hydroxy-besylate Formula: C43H47O8PS MolecularWeight: 754.867241

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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)C2=CC(=CC(=C2)[PH+](C)C3=CC=CC=C3)C4=CC=C(C=C4)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)C2=CC(=CC(=C2)[PH+](C)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H25O4P.C14H22O4S/c1-32-28(30)22-13-9-20(10-14-22)24-17-25(21-11-15-23(16-12-21)29(31)33-2)19-27(18-24)34(3)26-7-5-4-6-8-26;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h4-19H,1-3H3;7-8,15H,1-6H3,(H,16,17,18)