4-(2-phenylpropan-2-yl)benzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

Systemtic Name: 4-(2-phenylpropan-2-yl)benzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: 4-(1-methyl-1-phenyl-ethyl)benzenesulfonate; tris(4-tert-butoxyphenyl)sulfonium CAS Name: 4-(2-phenylpropan-2-yl)benzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: 4-(2-phenylpropan-2-yl)benzenesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: 4-cumylbesylate; tris(4-tert-butoxyphenyl)sulfonium Formula: C45H54O6S2 MolecularWeight: 755.03666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CC=C(C=C3)OC(C)(C)C.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CC=C(C=C3)OC(C)(C)C.CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39O3S.C15H16O3S/c1-28(2,3)31-22-10-16-25(17-11-22)34(26-18-12-23(13-19-26)32-29(4,5)6)27-20-14-24(15-21-27)33-30(7,8)9;1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(16,17)18/h10-21H,1-9H3;3-11H,1-2H3,(H,16,17,18)/q+1;/p-1