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

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-tetrahydropyran-3-carboxylic acid Formula: C20H20ClFO7S MolecularWeight: 458.885003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClFO7S/c1-27-20(18(23)24)17(29-12-13-7-8-14(22)11-16(13)21)9-10-28-19(20)30(25,26)15-5-3-2-4-6-15/h2-8,11,17,19H,9-10,12H2,1H3,(H,23,24)