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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-ethoxy-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-ethoxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(2-chloro-4-fluoro-benzyl)oxy-3-ethoxy-tetrahydropyran-3-carboxylic acid Formula: C21H22ClFO7S MolecularWeight: 472.911583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFO7S/c1-2-30-21(19(24)25)18(29-13-14-8-9-15(23)12-17(14)22)10-11-28-20(21)31(26,27)16-6-4-3-5-7-16/h3-9,12,18,20H,2,10-11,13H2,1H3,(H,24,25)