3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (4-methylphenyl)methyl-triphenyl-phosphanium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (4-methylphenyl)methyl-triphenyl-phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; triphenyl(p-tolylmethyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (4-methylphenyl)methyl-triphenylphosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (4-methylphenyl)methyl-triphenylphosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; (4-methylbenzyl)-triphenyl-phosphonium Formula: C40H45O4PS MolecularWeight: 652.821661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)(=O)[O-]

InChI

InChI=1S/C26H24P.C14H22O4S/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;1-13(2,3)10-7-9(19(16,17)18)8-11(12(10)15)14(4,5)6/h2-20H,21H2,1H3;7-8,15H,1-6H3,(H,16,17,18)/q+1;/p-1