2-azanylbenzene-1,3-dicarboxylic acid trihydrate

Systemtic Name: 2-azanylbenzene-1,3-dicarboxylic acid trihydrate Openeye Name: 2-aminobenzene-1,3-dicarboxylic acid trihydrate CAS Name: 2-aminobenzene-1,3-dicarboxylic acid trihydrate IUPAC Name: 2-aminobenzene-1,3-dicarboxylic acid trihydrate Traditional Name: 2-aminoisophthalic acid trihydrate Formula: C8H13NO7 MolecularWeight: 235.19132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4.3H2O/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;;;/h1-3H,9H2,(H,10,11)(H,12,13);3*1H2