[4-(2-methyl-3-oxidanylidene-butyl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-methyl-3-oxidanylidene-butyl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-methyl-3-oxo-butyl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(2-methyl-3-oxobutyl)sulfonylphenyl] ester IUPAC Name: [4-(2-methyl-3-oxobutyl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3-keto-2-methyl-butyl)sulfonylphenyl] ester Formula: C18H20O6S2 MolecularWeight: 396.4778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)CC(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)CC(C)C(=O)C

InChI

InChI=1S/C18H20O6S2/c1-13-4-8-18(9-5-13)26(22,23)24-16-6-10-17(11-7-16)25(20,21)12-14(2)15(3)19/h4-11,14H,12H2,1-3H3