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

Systemtic Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-2,2-dimethyl-3-oxidanyl-oxane-3-carboxylic acid Openeye Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyl-3-oxanecarboxylic acid IUPAC Name: 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-3-hydroxy-2,2-dimethyloxane-3-carboxylic acid Traditional Name: 4-[4-(4-fluorobenzyl)oxyphenyl]sulfonyl-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)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)(C(=O)O)O)C

Isomeric SMILES

CC1(C(C(CCO1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)F)(C(=O)O)O)C

InChI

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