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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-2,2-dimethyl-3-oxidanyl-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-hydroxy-2,2-dimethyl-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-hydroxy-2,2-dimethyloxane-3-carboxylic acid Traditional Name: 4-besyl-4-(2-chloro-4-fluoro-benzyl)oxy-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid Formula: C21H22ClFO7S MolecularWeight: 472.911583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CCO1)(OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3)(C(=O)O)O)C

Isomeric SMILES

CC1(C(C(CCO1)(OCC2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3)(C(=O)O)O)C

InChI

InChI=1S/C21H22ClFO7S/c1-19(2)21(26,18(24)25)20(10-11-29-19,31(27,28)16-6-4-3-5-7-16)30-13-14-8-9-15(23)12-17(14)22/h3-9,12,26H,10-11,13H2,1-2H3,(H,24,25)