2,5-bis[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]terephthalic acid

Systemtic Name: 2,5-bis[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]terephthalic acid Openeye Name: 2,5-bis[(E)-3-hydroxy-3-oxo-prop-1-enyl]terephthalic acid CAS Name: 2,5-bis[(E)-3-hydroxy-3-oxoprop-1-enyl]terephthalic acid IUPAC Name: 2,5-bis[(E)-3-hydroxy-3-oxoprop-1-enyl]terephthalic acid Traditional Name: 2,5-bis[(E)-3-hydroxy-3-keto-prop-1-enyl]terephthalic acid Formula: C14H10O8 MolecularWeight: 306.2244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C(C(=CC(=C1C(=O)O)/C=C/C(=O)O)C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C14H10O8/c15-11(16)3-1-7-5-10(14(21)22)8(2-4-12(17)18)6-9(7)13(19)20/h1-6H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/b3-1+,4-2+