2-[4,5-bis(chloranyl)-2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid

Systemtic Name: 2-[4,5-bis(chloranyl)-2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]terephthalic acid Openeye Name: 2-(4,5-dichloro-3-hydroxy-2,7-dimethoxy-6-oxo-xanthen-9-yl)terephthalic acid CAS Name: 2-(4,5-dichloro-3-hydroxy-2,7-dimethoxy-6-oxo-9-xanthenyl)terephthalic acid IUPAC Name: 2-(4,5-dichloro-3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)terephthalic acid Traditional Name: 2-(4,5-dichloro-3-hydroxy-6-keto-2,7-dimethoxy-xanthen-9-yl)terephthalic acid Formula: C23H14Cl2O9 MolecularWeight: 505.25786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Cl)Cl)O)OC)C4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C3=CC(=C(C(=C3OC2=C(C1=O)Cl)Cl)O)OC)C4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C23H14Cl2O9/c1-32-13-6-11-15(10-5-8(22(28)29)3-4-9(10)23(30)31)12-7-14(33-2)19(27)17(25)21(12)34-20(11)16(24)18(13)26/h3-7,26H,1-2H3,(H,28,29)(H,30,31)