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

Systemtic Name: 4-[(4-fluoranyl-2-methyl-phenyl)methoxy]-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-fluoro-2-methyl-phenyl)methoxy]-3-hydroxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-hydroxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-hydroxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(4-fluoro-2-methyl-benzyl)oxy-3-hydroxy-tetrahydropyran-3-carboxylic acid Formula: C20H21FO7S MolecularWeight: 424.439943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)COC2CCOC(C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)COC2CCOC(C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21FO7S/c1-13-11-15(21)8-7-14(13)12-28-17-9-10-27-19(20(17,24)18(22)23)29(25,26)16-5-3-2-4-6-16/h2-8,11,17,19,24H,9-10,12H2,1H3,(H,22,23)