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

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-3-hydroxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-3-hydroxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(4-chlorophenyl)methoxy]-3-hydroxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(4-chlorobenzyl)oxy-3-hydroxy-tetrahydropyran-3-carboxylic acid Formula: C19H19ClO7S MolecularWeight: 426.86796

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(C1OCC2=CC=C(C=C2)Cl)(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC(C(C1OCC2=CC=C(C=C2)Cl)(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19ClO7S/c20-14-8-6-13(7-9-14)12-27-16-10-11-26-18(19(16,23)17(21)22)28(24,25)15-4-2-1-3-5-15/h1-9,16,18,23H,10-12H2,(H,21,22)