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

Systemtic Name: 4-[(4-fluoranyl-2-methyl-phenyl)methoxy]-3-oxidanyl-2-oxidanylidene-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methyl-phenyl)methoxy]-3-hydroxy-2-oxo-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-hydroxy-2-oxo-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-hydroxy-2-oxooxane-3-carboxylic acid Traditional Name: 4-besyl-4-(4-fluoro-2-methyl-benzyl)oxy-3-hydroxy-2-keto-tetrahydropyran-3-carboxylic acid Formula: C20H19FO8S MolecularWeight: 438.423463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)COC2(CCOC(=O)C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)F)COC2(CCOC(=O)C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19FO8S/c1-13-11-15(21)8-7-14(13)12-29-19(30(26,27)16-5-3-2-4-6-16)9-10-28-18(24)20(19,25)17(22)23/h2-8,11,25H,9-10,12H2,1H3,(H,22,23)