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

Systemtic Name: benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; hexanedioic acid; nonanedioic acid Openeye Name: adipic acid; hexane-1,6-diamine; isophthalic acid; nonanedioic acid CAS Name: benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; hexanedioic acid; nonanedioic acid IUPAC Name: benzene-1,3-dicarboxylic acid; hexane-1,6-diamine; hexanedioic acid; nonanedioic acid Traditional Name: adipic acid; 6-aminohexylamine; azelaic acid; isophthalic acid Formula: C29H48N2O12 MolecularWeight: 616.69762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O4.C8H6O4.C6H16N2.C6H10O4/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5-3-1-2-4-6-8;7-5(8)3-1-2-4-6(9)10/h1-7H2,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);1-8H2;1-4H2,(H,7,8)(H,9,10)