2,3-bis[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]terephthalic acid; pentanedioate

Systemtic Name: 2,3-bis[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]terephthalic acid; pentanedioate Openeye Name: 2,3-bis(1,2-dihydroxy-2-oxo-ethyl)terephthalic acid; pentanedioate CAS Name: 2,3-bis(1,2-dihydroxy-2-oxoethyl)terephthalic acid; pentanedioate IUPAC Name: 2,3-bis(1,2-dihydroxy-2-oxoethyl)terephthalic acid; pentanedioate Traditional Name: 2,3-bis(1,2-dihydroxy-2-keto-ethyl)terephthalic acid; glutarate Formula: C17H16O14-2 MolecularWeight: 444.30054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O10.C5H8O4/c13-7(11(19)20)5-3(9(15)16)1-2-4(10(17)18)6(5)8(14)12(21)22;6-4(7)2-1-3-5(8)9/h1-2,7-8,13-14H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-3H2,(H,6,7)(H,8,9)/p-2