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

Systemtic Name: 2-[1,2-bis(oxidanyl)ethyl]benzene-1,3-dicarboxylate; terephthalic acid Openeye Name: 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylate; terephthalic acid CAS Name: 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylate; terephthalic acid IUPAC Name: 2-(1,2-dihydroxyethyl)benzene-1,3-dicarboxylate; terephthalic acid Traditional Name: 2-(1,2-dihydroxyethyl)isophthalate; terephthalic acid Formula: C18H14O10-2 MolecularWeight: 390.29776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)[O-])C(CO)O)C(=O)[O-].C1=CC(=CC=C1C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)[O-])C(CO)O)C(=O)[O-].C1=CC(=CC=C1C(=O)O)C(=O)O

InChI

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