2-[2,4-bis(oxidanyl)phenyl]carbonyl-5-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid

Systemtic Name: 2-[2,4-bis(oxidanyl)phenyl]carbonyl-5-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid Openeye Name: 2-(2,4-dihydroxybenzoyl)-5-(3-hydroxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2-[(2,4-dihydroxyphenyl)-oxomethyl]-5-(3-hydroxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2-(2,4-dihydroxybenzoyl)-5-(3-hydroxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2-(2,4-dihydroxybenzoyl)-5-(3-hydroxy-6-keto-xanthen-9-yl)terephthalic acid Formula: C28H16O10 MolecularWeight: 512.42064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C(=O)C5=C(C=C(C=C5)O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=C2C4=CC(=C(C=C4C(=O)O)C(=O)C5=C(C=C(C=C5)O)O)C(=O)O

InChI

InChI=1S/C28H16O10/c29-12-1-4-15(22(32)7-12)26(33)19-11-20(27(34)35)18(10-21(19)28(36)37)25-16-5-2-13(30)8-23(16)38-24-9-14(31)3-6-17(24)25/h1-11,29-30,32H,(H,34,35)(H,36,37)