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

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-2,2-dimethyl-3-oxidanyl-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-hydroxy-2,2-dimethyl-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-hydroxy-2,2-dimethyloxane-3-carboxylic acid Traditional Name: 4-besyl-4-(4-fluorobenzyl)oxy-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid Formula: C21H23FO7S MolecularWeight: 438.466523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FO7S/c1-19(2)21(25,18(23)24)20(12-13-28-19,29-14-15-8-10-16(22)11-9-15)30(26,27)17-6-4-3-5-7-17/h3-11,25H,12-14H2,1-2H3,(H,23,24)