benzene-1,3-dicarboxylic acid; hexane-1,6-diamine

Systemtic Name: benzene-1,3-dicarboxylic acid; hexane-1,6-diamine Openeye Name: hexane-1,6-diamine; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; hexane-1,6-diamine IUPAC Name: benzene-1,3-dicarboxylic acid; hexane-1,6-diamine Traditional Name: 6-aminohexylamine; isophthalic acid Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H16N2/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-1-2-4-6-8/h1-4H,(H,9,10)(H,11,12);1-8H2