benzene-1,3-dicarboxylic acid; 4-(2-hydroxyethyloxycarbonyl)benzoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 4-(2-hydroxyethyloxycarbonyl)benzoic acid Openeye Name: 4-(2-hydroxyethoxycarbonyl)benzoic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 4-[2-hydroxyethoxy(oxo)methyl]benzoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 4-(2-hydroxyethoxycarbonyl)benzoic acid Traditional Name: 4-(2-hydroxyethoxycarbonyl)benzoic acid; isophthalic acid Formula: C18H16O9 MolecularWeight: 376.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)OCCO

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)OCCO

InChI

InChI=1S/C10H10O5.C8H6O4/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11H,5-6H2,(H,12,13);1-4H,(H,9,10)(H,11,12)