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

Systemtic Name: 3,5-ditert-butyl-4-oxidanyl-benzenesulfonate; methyl-tris(4-methylphenyl)phosphanium Openeye Name: 3,5-ditert-butyl-4-hydroxy-benzenesulfonate; methyl(tris-p-tolyl)phosphonium CAS Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; methyl-tris(4-methylphenyl)phosphonium IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzenesulfonate; methyl-tris(4-methylphenyl)phosphanium Traditional Name: 3,5-ditert-butyl-4-hydroxy-besylate; methyl(tris-p-tolyl)phosphonium Formula: C36H45O4PS MolecularWeight: 604.778861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24P.C14H22O4S/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;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