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

Systemtic Name: 4-[(4-fluoranyl-2-methyl-phenyl)methoxy]-2,2-dimethyl-3-oxidanyl-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methyl-phenyl)methoxy]-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-hydroxy-2,2-dimethyl-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(4-fluoro-2-methylphenyl)methoxy]-3-hydroxy-2,2-dimethyloxane-3-carboxylic acid Traditional Name: 4-besyl-4-(4-fluoro-2-methyl-benzyl)oxy-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid Formula: C22H25FO7S MolecularWeight: 452.493103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FO7S/c1-15-13-17(23)10-9-16(15)14-30-21(31(27,28)18-7-5-4-6-8-18)11-12-29-20(2,3)22(21,26)19(24)25/h4-10,13,26H,11-12,14H2,1-3H3,(H,24,25)