benzene-1,3-dicarboxylic acid; N-ethylethanamine

Systemtic Name: benzene-1,3-dicarboxylic acid; N-ethylethanamine Openeye Name: N-ethylethanamine; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; N-ethylethanamine IUPAC Name: benzene-1,3-dicarboxylic acid; N-ethylethanamine Traditional Name: diethylamine; isophthalic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C4H11N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-5-4-2/h1-4H,(H,9,10)(H,11,12);5H,3-4H2,1-2H3