4-[4,5-bis(chloranyl)-2-ethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]phthalic acid

Systemtic Name: 4-[4,5-bis(chloranyl)-2-ethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]phthalic acid Openeye Name: 4-(4,5-dichloro-2-ethoxy-3-hydroxy-6-oxo-xanthen-9-yl)phthalic acid CAS Name: 4-(4,5-dichloro-2-ethoxy-3-hydroxy-6-oxo-9-xanthenyl)phthalic acid IUPAC Name: 4-(4,5-dichloro-2-ethoxy-3-hydroxy-6-oxoxanthen-9-yl)phthalic acid Traditional Name: 4-(4,5-dichloro-2-ethoxy-3-hydroxy-6-keto-xanthen-9-yl)phthalic acid Formula: C23H14Cl2O8 MolecularWeight: 489.25846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)C(=C3C=CC(=O)C(=C3O2)Cl)C4=CC(=C(C=C4)C(=O)O)C(=O)O)Cl)O

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)C(=C3C=CC(=O)C(=C3O2)Cl)C4=CC(=C(C=C4)C(=O)O)C(=O)O)Cl)O

InChI

InChI=1S/C23H14Cl2O8/c1-2-32-15-8-13-16(9-3-4-10(22(28)29)12(7-9)23(30)31)11-5-6-14(26)17(24)20(11)33-21(13)18(25)19(15)27/h3-8,27H,2H2,1H3,(H,28,29)(H,30,31)