3,4,6-tris(chloranyl)-5-(2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phthalic acid

Systemtic Name: 3,4,6-tris(chloranyl)-5-(2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)phthalic acid Openeye Name: 3,4,6-trichloro-5-(3-hydroxy-2,7-dimethoxy-6-oxo-xanthen-9-yl)phthalic acid CAS Name: 3,4,6-trichloro-5-(3-hydroxy-2,7-dimethoxy-6-oxo-9-xanthenyl)phthalic acid IUPAC Name: 3,4,6-trichloro-5-(3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)phthalic acid Traditional Name: 3,4,6-trichloro-5-(3-hydroxy-6-keto-2,7-dimethoxy-xanthen-9-yl)phthalic acid Formula: C23H13Cl3O9 MolecularWeight: 539.70292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OC)C4=C(C(=C(C(=C4Cl)Cl)C(=O)O)C(=O)O)Cl

Isomeric SMILES

COC1=CC2=C(C3=CC(=C(C=C3OC2=CC1=O)O)OC)C4=C(C(=C(C(=C4Cl)Cl)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C23H13Cl3O9/c1-33-13-3-7-11(5-9(13)27)35-12-6-10(28)14(34-2)4-8(12)15(7)16-19(24)17(22(29)30)18(23(31)32)21(26)20(16)25/h3-6,27H,1-2H3,(H,29,30)(H,31,32)