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

Systemtic Name: 2-[4,5-bis(chloranyl)-2,7-dimethoxy-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]-5-cyano-benzoic acid Openeye Name: 5-cyano-2-(4,5-dichloro-3-hydroxy-2,7-dimethoxy-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 5-cyano-2-(4,5-dichloro-3-hydroxy-2,7-dimethoxy-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 5-cyano-2-(4,5-dichloro-3-hydroxy-2,7-dimethoxy-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 5-cyano-2-(4,5-dichloro-3-hydroxy-6-keto-2,7-dimethoxy-xanthen-9-yl)benzoic acid Formula: C23H13Cl2NO7 MolecularWeight: 486.25782

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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=C(C=C4)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H13Cl2NO7/c1-31-14-6-12-16(10-4-3-9(8-26)5-11(10)23(29)30)13-7-15(32-2)20(28)18(25)22(13)33-21(12)17(24)19(14)27/h3-7,27H,1-2H3,(H,29,30)