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

Systemtic Name: [4-(3-methyl-2-oxidanylidene-butyl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3-methyl-2-oxo-butyl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3-methyl-2-oxobutyl)sulfonylphenyl] ester IUPAC Name: [4-(3-methyl-2-oxobutyl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-keto-3-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(=O)C(C)C

Isomeric SMILES

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

InChI

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