benzene-1,3-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol Openeye Name: adipic acid; 2-(2-hydroxyethoxy)ethanol; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol IUPAC Name: benzene-1,3-dicarboxylic acid; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol Traditional Name: adipic acid; 2-(2-hydroxyethoxy)ethanol; isophthalic acid Formula: C18H26O11 MolecularWeight: 418.39244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H10O4.C4H10O3/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;5-1-3-7-4-2-6/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2