2-cyclohexa-1,4-dien-1-yl-2-(4-methylphenyl)sulfonyl-ethanoic acid

Systemtic Name: 2-cyclohexa-1,4-dien-1-yl-2-(4-methylphenyl)sulfonyl-ethanoic acid Openeye Name: 2-cyclohexa-1,4-dien-1-yl-2-(p-tolylsulfonyl)acetic acid CAS Name: 2-(1-cyclohexa-1,4-dienyl)-2-(4-methylphenyl)sulfonylacetic acid IUPAC Name: 2-cyclohexa-1,4-dien-1-yl-2-(4-methylphenyl)sulfonylacetic acid Traditional Name: 2-cyclohexa-1,4-dien-1-yl-2-tosyl-acetic acid Formula: C15H16O4S MolecularWeight: 292.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CCC=CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CCC=CC2)C(=O)O

InChI

InChI=1S/C15H16O4S/c1-11-7-9-13(10-8-11)20(18,19)14(15(16)17)12-5-3-2-4-6-12/h2-3,6-10,14H,4-5H2,1H3,(H,16,17)