benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol

Systemtic Name: benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol Openeye Name: adipic acid; benzene-1,2,4-tricarboxylic acid; hexane-1,6-diol CAS Name: benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol IUPAC Name: benzene-1,2,4-tricarboxylic acid; hexanedioic acid; hexane-1,6-diol Traditional Name: adipic acid; hexane-1,6-diol; trimellitic acid Formula: C21H30O12 MolecularWeight: 474.4557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H6O6.C6H10O4.C6H14O2/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2