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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; tris(4-chlorophenyl)-methyl-phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; tris(4-chlorophenyl)-methyl-phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; tris(4-chlorophenyl)-methylphosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; tris(4-chlorophenyl)-methylphosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; tris(4-chlorophenyl)-methyl-phosphonium Formula: C33H36Cl3O4PS MolecularWeight: 666.034301

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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-].C[P+](C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl3P.C14H22O4S/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h2-13H,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1