benzene-1,3-dicarboxylic acid; cyclohexylmethanediamine

Systemtic Name: benzene-1,3-dicarboxylic acid; cyclohexylmethanediamine Openeye Name: cyclohexylmethanediamine; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; cyclohexylmethanediamine IUPAC Name: benzene-1,3-dicarboxylic acid; cyclohexylmethanediamine Traditional Name: [amino(cyclohexyl)methyl]amine; isophthalic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(N)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(N)N.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C7H16N2/c9-7(10)5-2-1-3-6(4-5)8(11)12;8-7(9)6-4-2-1-3-5-6/h1-4H,(H,9,10)(H,11,12);6-7H,1-5,8-9H2