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

Systemtic Name: 4-methylbenzenesulfonate; tris[3-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: 4-methylbenzenesulfonate; tris(3-tert-butoxyphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; tris[3-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; tris[3-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: tris(3-tert-butoxyphenyl)sulfonium tosylate Formula: C37H46O6S2 MolecularWeight: 650.88754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC(=CC=C1)[S+](C2=CC=CC(=C2)OC(C)(C)C)C3=CC=CC(=C3)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)OC1=CC(=CC=C1)[S+](C2=CC=CC(=C2)OC(C)(C)C)C3=CC=CC(=C3)OC(C)(C)C

InChI

InChI=1S/C30H39O3S.C7H8O3S/c1-28(2,3)31-22-13-10-16-25(19-22)34(26-17-11-14-23(20-26)32-29(4,5)6)27-18-12-15-24(21-27)33-30(7,8)9;1-6-2-4-7(5-3-6)11(8,9)10/h10-21H,1-9H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1