9-oxidanylidene-6-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]xanthene-2-carboxylic acid

Systemtic Name: 9-oxidanylidene-6-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]xanthene-2-carboxylic acid Openeye Name: 9-oxo-6-(2,2,2-trichloro-1-hydroxy-ethyl)xanthene-2-carboxylic acid CAS Name: 9-oxo-6-(2,2,2-trichloro-1-hydroxyethyl)-2-xanthenecarboxylic acid IUPAC Name: 9-oxo-6-(2,2,2-trichloro-1-hydroxyethyl)xanthene-2-carboxylic acid Traditional Name: 9-keto-6-(2,2,2-trichloro-1-hydroxy-ethyl)xanthene-2-carboxylic acid Formula: C16H9Cl3O5 MolecularWeight: 387.59866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(C(Cl)(Cl)Cl)O)OC3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(C(Cl)(Cl)Cl)O)OC3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H9Cl3O5/c17-16(18,19)14(21)7-1-3-9-12(6-7)24-11-4-2-8(15(22)23)5-10(11)13(9)20/h1-6,14,21H,(H,22,23)