1-(6-methoxypyridin-2-yl)cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 1-(6-methoxypyridin-2-yl)cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 1-(6-methoxy-2-pyridyl)cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 1-(6-methoxy-2-pyridinyl)-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 1-(6-methoxypyridin-2-yl)cyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 1-(6-methoxy-2-pyridyl)cyclohexa-2,5-diene-1-sulfonic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2(C=CCC=C2)S(=O)(=O)O

Isomeric SMILES

COC1=CC=CC(=N1)C2(C=CCC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H13NO4S/c1-17-11-7-5-6-10(13-11)12(18(14,15)16)8-3-2-4-9-12/h3-9H,2H2,1H3,(H,14,15,16)