benzenesulfonic acid; pyridine-3,5-dicarboxylate

Systemtic Name: benzenesulfonic acid; pyridine-3,5-dicarboxylate Openeye Name: benzenesulfonic acid; pyridine-3,5-dicarboxylate CAS Name: benzenesulfonic acid; pyridine-3,5-dicarboxylate IUPAC Name: benzenesulfonic acid; pyridine-3,5-dicarboxylate Traditional Name: besylic acid; dinicotinate Formula: C13H9NO7S-2 MolecularWeight: 323.27806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=NC=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=NC=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C7H5NO4.C6H6O3S/c9-6(10)4-1-5(7(11)12)3-8-2-4;7-10(8,9)6-4-2-1-3-5-6/h1-3H,(H,9,10)(H,11,12);1-5H,(H,7,8,9)/p-2