benzene-1,3-dicarboxylic acid; 5,6-dimethylheptane-1,6-diamine

Systemtic Name: benzene-1,3-dicarboxylic acid; 5,6-dimethylheptane-1,6-diamine Openeye Name: 5,6-dimethylheptane-1,6-diamine; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 5,6-dimethylheptane-1,6-diamine IUPAC Name: benzene-1,3-dicarboxylic acid; 5,6-dimethylheptane-1,6-diamine Traditional Name: (6-amino-5,6-dimethyl-heptyl)amine; isophthalic acid Formula: C17H28N2O4 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H22N2.C8H6O4/c1-8(9(2,3)11)6-4-5-7-10;9-7(10)5-2-1-3-6(4-5)8(11)12/h8H,4-7,10-11H2,1-3H3;1-4H,(H,9,10)(H,11,12)