hexane-1,6-diamine; 2-methylpentane-1,5-diamine; terephthalic acid

Systemtic Name: hexane-1,6-diamine; 2-methylpentane-1,5-diamine; terephthalic acid Openeye Name: hexane-1,6-diamine; 2-methylpentane-1,5-diamine; terephthalic acid CAS Name: hexane-1,6-diamine; 2-methylpentane-1,5-diamine; terephthalic acid IUPAC Name: hexane-1,6-diamine; 2-methylpentane-1,5-diamine; terephthalic acid Traditional Name: 6-aminohexylamine; (5-amino-2-methyl-pentyl)amine; terephthalic acid Formula: C20H38N4O4 MolecularWeight: 398.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)CN.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCN)CCN

Isomeric SMILES

CC(CCCN)CN.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCCN)CCN

InChI

InChI=1S/C8H6O4.2C6H16N2/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-6(5-8)3-2-4-7;7-5-3-1-2-4-6-8/h1-4H,(H,9,10)(H,11,12);6H,2-5,7-8H2,1H3;1-8H2