4-methylbenzenesulfonate; (3-methylphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (3-methylphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]sulfanium Openeye Name: bis[4-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-(m-tolyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; (3-methylphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfonium IUPAC Name: 4-methylbenzenesulfonate; (3-methylphenyl)-bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium Traditional Name: bis[4-(2-tert-butoxy-2-keto-ethoxy)phenyl]-(m-tolyl)sulfonium tosylate Formula: C38H44O9S2 MolecularWeight: 708.88056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37O6S.C7H8O3S/c1-22-9-8-10-27(19-22)38(25-15-11-23(12-16-25)34-20-28(32)36-30(2,3)4)26-17-13-24(14-18-26)35-21-29(33)37-31(5,6)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-19H,20-21H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1