benzene-1,3-dicarboxylic acid; ethane-1,2-diol; 2-(2-hydroxyethyloxy)ethanol; nonanedioic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; ethane-1,2-diol; 2-(2-hydroxyethyloxy)ethanol; nonanedioic acid Openeye Name: ethylene glycol; 2-(2-hydroxyethoxy)ethanol; isophthalic acid; nonanedioic acid CAS Name: benzene-1,3-dicarboxylic acid; ethane-1,2-diol; 2-(2-hydroxyethoxy)ethanol; nonanedioic acid IUPAC Name: benzene-1,3-dicarboxylic acid; ethane-1,2-diol; 2-(2-hydroxyethoxy)ethanol; nonanedioic acid Traditional Name: azelaic acid; ethylene glycol; 2-(2-hydroxyethoxy)ethanol; isophthalic acid Formula: C23H38O13 MolecularWeight: 522.54002

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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(CO)O.C(COCCO)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CO)O.C(COCCO)O

InChI

InChI=1S/C9H16O4.C8H6O4.C4H10O3.C2H6O2/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;5-1-3-7-4-2-6;3-1-2-4/h1-7H2,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);5-6H,1-4H2;3-4H,1-2H2