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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C(CCOC1S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCOC1(C(CCOC1S(=O)(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)F)C(=O)O

InChI

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