4-methylbenzenesulfonate; [2,3,4-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

Systemtic Name: 4-methylbenzenesulfonate; [2,3,4-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; (2,3,4-tritert-butoxyphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; [2,3,4-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; [2,3,4-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: (2,3,4-tritert-butoxyphenyl)sulfonium tosylate Formula: C25H38O6S2 MolecularWeight: 498.69562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=C(C(=C(C=C1)[SH2+])OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=C(C(=C(C=C1)[SH2+])OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C18H30O3S.C7H8O3S/c1-16(2,3)19-12-10-11-13(22)15(21-18(7,8)9)14(12)20-17(4,5)6;1-6-2-4-7(5-3-6)11(8,9)10/h10-11,22H,1-9H3;2-5H,1H3,(H,8,9,10)