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

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-2,2,3-trimethyl-4-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2,2,3-trimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 4-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2,2,3-trimethyl-3-oxanecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2,2,3-trimethyloxane-3-carboxylic acid Traditional Name: 4-besyl-4-(4-fluorobenzyl)oxy-2,2,3-trimethyl-tetrahydropyran-3-carboxylic acid Formula: C22H25FO6S MolecularWeight: 436.493703

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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)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25FO6S/c1-20(2)21(3,19(24)25)22(13-14-28-20,29-15-16-9-11-17(23)12-10-16)30(26,27)18-7-5-4-6-8-18/h4-12H,13-15H2,1-3H3,(H,24,25)