cyclohexa-2,4-diene-1-sulfonic acid; 2-methyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: cyclohexa-2,4-diene-1-sulfonic acid; 2-methyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: cyclohexa-2,4-diene-1-sulfonic acid; 2-methyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: 1-cyclohexa-2,4-dienesulfonic acid; 2-methyl-3,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: cyclohexa-2,4-diene-1-sulfonic acid; 2-methyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: cyclohexa-2,4-diene-1-sulfonic acid; 2-methyl-3,4-dihydropyridine-3,5-dicarboxylate Formula: C14H15NO7S-2 MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(CC1C(=O)[O-])C(=O)[O-].C1C=CC=CC1S(=O)(=O)O

Isomeric SMILES

CC1=NC=C(CC1C(=O)[O-])C(=O)[O-].C1C=CC=CC1S(=O)(=O)O

InChI

InChI=1S/C8H9NO4.C6H8O3S/c1-4-6(8(12)13)2-5(3-9-4)7(10)11;7-10(8,9)6-4-2-1-3-5-6/h3,6H,2H2,1H3,(H,10,11)(H,12,13);1-4,6H,5H2,(H,7,8,9)/p-2