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

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-3-methoxy-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-methoxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-methoxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-3-methoxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(4-fluorobenzyl)oxy-3-methoxy-tetrahydropyran-3-carboxylic acid Formula: C20H21FO7S MolecularWeight: 424.439943

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(CCOC1S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

COC1(C(CCOC1S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H21FO7S/c1-26-20(18(22)23)17(28-13-14-7-9-15(21)10-8-14)11-12-27-19(20)29(24,25)16-5-3-2-4-6-16/h2-10,17,19H,11-13H2,1H3,(H,22,23)