3-ethoxy-4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-2-(phenylsulfonyl)oxane-3-carboxylic acid

Systemtic Name: 3-ethoxy-4-[(5-fluoranyl-2-methyl-phenyl)methoxy]-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-3-ethoxy-4-[(5-fluoro-2-methyl-phenyl)methoxy]tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-3-ethoxy-4-[(5-fluoro-2-methylphenyl)methoxy]oxane-3-carboxylic acid Traditional Name: 2-besyl-3-ethoxy-4-(5-fluoro-2-methyl-benzyl)oxy-tetrahydropyran-3-carboxylic acid Formula: C22H25FO7S MolecularWeight: 452.493103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FO7S/c1-3-30-22(20(24)25)19(29-14-16-13-17(23)10-9-15(16)2)11-12-28-21(22)31(26,27)18-7-5-4-6-8-18/h4-10,13,19,21H,3,11-12,14H2,1-2H3,(H,24,25)