3-azanylphthalic acid; 4-chloranylbenzenesulfonimidic acid

Systemtic Name: 3-azanylphthalic acid; 4-chloranylbenzenesulfonimidic acid Openeye Name: 3-aminophthalic acid; 4-chlorobenzenesulfonimidic acid CAS Name: 3-aminophthalic acid; 4-chlorobenzenesulfonimidic acid IUPAC Name: 3-aminophthalic acid; 4-chlorobenzenesulfonimidic acid Traditional Name: 3-aminophthalic acid; 4-chlorobenzenesulfonimidic acid Formula: C14H13ClN2O6S MolecularWeight: 372.78082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.C1=CC(=CC=C1S(=N)(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O.C1=CC(=CC=C1S(=N)(=O)O)Cl

InChI

InChI=1S/C8H7NO4.C6H6ClNO2S/c9-5-3-1-2-4(7(10)11)6(5)8(12)13;7-5-1-3-6(4-2-5)11(8,9)10/h1-3H,9H2,(H,10,11)(H,12,13);1-4H,(H2,8,9,10)