benzene-1,3-dicarboxylic acid; propan-1-amine

Systemtic Name: benzene-1,3-dicarboxylic acid; propan-1-amine Openeye Name: isophthalic acid; propan-1-amine CAS Name: benzene-1,3-dicarboxylic acid; 1-propanamine IUPAC Name: benzene-1,3-dicarboxylic acid; propan-1-amine Traditional Name: isophthalic acid; propylamine Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C3H9N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-3-4/h1-4H,(H,9,10)(H,11,12);2-4H2,1H3