benzene-1,3-dicarboxylic acid; 2-[1,2-bis(oxidanyl)ethyl]terephthalic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 2-[1,2-bis(oxidanyl)ethyl]terephthalic acid Openeye Name: 2-(1,2-dihydroxyethyl)terephthalic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 2-(1,2-dihydroxyethyl)terephthalic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 2-(1,2-dihydroxyethyl)terephthalic acid Traditional Name: 2-(1,2-dihydroxyethyl)terephthalic acid; isophthalic acid Formula: C18H16O10 MolecularWeight: 392.31364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O6.C8H6O4/c11-4-8(12)7-3-5(9(13)14)1-2-6(7)10(15)16;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-3,8,11-12H,4H2,(H,13,14)(H,15,16);1-4H,(H,9,10)(H,11,12)