3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (2-methylphenyl)methyl-triphenyl-phosphanium

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; (2-methylphenyl)methyl-triphenyl-phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; o-tolylmethyl(triphenyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (2-methylphenyl)methyl-triphenylphosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; (2-methylphenyl)methyl-triphenylphosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; (2-methylbenzyl)-triphenyl-phosphonium Formula: C40H45O4PS MolecularWeight: 652.821661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[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=CC=C1C[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/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;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