(2-methylphenyl) cyclohexa-1,3-diene-1-sulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CCC2

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CC=CCC2

InChI

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