[4-[1-(2-methylpropanoyl)cyclopropyl]sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[1-(2-methylpropanoyl)cyclopropyl]sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1-(2-methylpropanoyl)cyclopropyl]sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1-(2-methyl-1-oxopropyl)cyclopropyl]sulfonylphenyl] ester IUPAC Name: [4-[1-(2-methylpropanoyl)cyclopropyl]sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1-isobutyrylcyclopropyl)sulfonylphenyl] ester Formula: C20H22O6S2 MolecularWeight: 422.51508

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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)C3(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3(CC3)C(=O)C(C)C

InChI

InChI=1S/C20H22O6S2/c1-14(2)19(21)20(12-13-20)27(22,23)17-10-6-16(7-11-17)26-28(24,25)18-8-4-15(3)5-9-18/h4-11,14H,12-13H2,1-3H3