4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-oxidanyl-2-oxidanylidene-4-(phenylsulfonyl)oxane-3-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-oxidanyl-2-oxidanylidene-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-hydroxy-2-oxo-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-hydroxy-2-oxo-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-hydroxy-2-oxooxane-3-carboxylic acid Traditional Name: 4-besyl-4-(2-chloro-4-fluoro-benzyl)oxy-3-hydroxy-2-keto-tetrahydropyran-3-carboxylic acid Formula: C19H16ClFO8S MolecularWeight: 458.841943

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(C1(OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3)(C(=O)O)O

Isomeric SMILES

C1COC(=O)C(C1(OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3)(C(=O)O)O

InChI

InChI=1S/C19H16ClFO8S/c20-15-10-13(21)7-6-12(15)11-29-18(30(26,27)14-4-2-1-3-5-14)8-9-28-17(24)19(18,25)16(22)23/h1-7,10,25H,8-9,11H2,(H,22,23)