4-azanyl-2-sulfo-benzene-1,3-dicarboxylic acid

Systemtic Name: 4-azanyl-2-sulfo-benzene-1,3-dicarboxylic acid Openeye Name: 4-amino-2-sulfo-benzene-1,3-dicarboxylic acid CAS Name: 4-amino-2-sulfobenzene-1,3-dicarboxylic acid IUPAC Name: 4-amino-2-sulfobenzene-1,3-dicarboxylic acid Traditional Name: 4-amino-2-sulfo-isophthalic acid Formula: C8H7NO7S MolecularWeight: 261.20868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)S(=O)(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)S(=O)(=O)O)C(=O)O)N

InChI

InChI=1S/C8H7NO7S/c9-4-2-1-3(7(10)11)6(17(14,15)16)5(4)8(12)13/h1-2H,9H2,(H,10,11)(H,12,13)(H,14,15,16)