4-(1-methyl-2H-pyridin-4-yl)benzenesulfonic acid

Systemtic Name: 4-(1-methyl-2H-pyridin-4-yl)benzenesulfonic acid Openeye Name: 4-(1-methyl-2H-pyridin-4-yl)benzenesulfonic acid CAS Name: 4-(1-methyl-2H-pyridin-4-yl)benzenesulfonic acid IUPAC Name: 4-(1-methyl-2H-pyridin-4-yl)benzenesulfonic acid Traditional Name: 4-(1-methyl-2H-pyridin-4-yl)besylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CN1CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H13NO3S/c1-13-8-6-11(7-9-13)10-2-4-12(5-3-10)17(14,15)16/h2-8H,9H2,1H3,(H,14,15,16)