6-(4-methylphenyl)carbonylpyridine-2-sulfonic acid

Systemtic Name: 6-(4-methylphenyl)carbonylpyridine-2-sulfonic acid Openeye Name: 6-(4-methylbenzoyl)pyridine-2-sulfonic acid CAS Name: 6-[(4-methylphenyl)-oxomethyl]-2-pyridinesulfonic acid IUPAC Name: 6-(4-methylbenzoyl)pyridine-2-sulfonic acid Traditional Name: 6-p-toluoylpyridine-2-sulfonic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4S/c1-9-5-7-10(8-6-9)13(15)11-3-2-4-12(14-11)19(16,17)18/h2-8H,1H3,(H,16,17,18)