2-(4-methylphenyl)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 2-(4-methylphenyl)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 2-(p-tolyl)cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 2-(4-methylphenyl)-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 2-(4-methylphenyl)cyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 2-(p-tolyl)cyclohexa-1,3-diene-1-sulfonic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)17(14,15)16/h2,4,6-9H,3,5H2,1H3,(H,14,15,16)