2-(4,5-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid

Systemtic Name: 2-(4,5-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)terephthalic acid Openeye Name: 2-(3-hydroxy-4,5-dimethoxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2-(3-hydroxy-4,5-dimethoxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2-(3-hydroxy-4,5-dimethoxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2-(3-hydroxy-6-keto-4,5-dimethoxy-xanthen-9-yl)terephthalic acid Formula: C23H16O9 MolecularWeight: 436.36774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1OC3=C(C(=O)C=CC3=C2C4=C(C=CC(=C4)C(=O)O)C(=O)O)OC)O

Isomeric SMILES

COC1=C(C=CC2=C1OC3=C(C(=O)C=CC3=C2C4=C(C=CC(=C4)C(=O)O)C(=O)O)OC)O

InChI

InChI=1S/C23H16O9/c1-30-20-15(24)7-5-12-17(14-9-10(22(26)27)3-4-11(14)23(28)29)13-6-8-16(25)21(31-2)19(13)32-18(12)20/h3-9,24H,1-2H3,(H,26,27)(H,28,29)