benzene-1,3-dicarboxylic acid; hexanedioic acid; (2,2,4-trimethyl-3-oxidanyl-pentyl) 3-oxidanylidenebutanoate

Systemtic Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; (2,2,4-trimethyl-3-oxidanyl-pentyl) 3-oxidanylidenebutanoate Openeye Name: adipic acid; (3-hydroxy-2,2,4-trimethyl-pentyl) 3-oxobutanoate; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 3-oxobutanoic acid (3-hydroxy-2,2,4-trimethylpentyl) ester IUPAC Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; (3-hydroxy-2,2,4-trimethylpentyl) 3-oxobutanoate Traditional Name: adipic acid; isophthalic acid; 3-ketobutyric acid (3-hydroxy-2,2,4-trimethyl-pentyl) ester Formula: C26H38O12 MolecularWeight: 542.57272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)COC(=O)CC(=O)C)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)C(C(C)(C)COC(=O)CC(=O)C)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C12H22O4.C8H6O4.C6H10O4/c1-8(2)11(15)12(4,5)7-16-10(14)6-9(3)13;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10/h8,11,15H,6-7H2,1-5H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)