4-(4-chloranylphenoxy)-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid

Systemtic Name: 4-(4-chloranylphenoxy)-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-(4-chlorophenoxy)-3-hydroxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-(4-chlorophenoxy)-3-hydroxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-(4-chlorophenoxy)-3-hydroxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(4-chlorophenoxy)-3-hydroxy-tetrahydropyran-3-carboxylic acid Formula: C18H17ClO7S MolecularWeight: 412.84138

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(C1OC2=CC=C(C=C2)Cl)(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC(C(C1OC2=CC=C(C=C2)Cl)(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClO7S/c19-12-6-8-13(9-7-12)26-15-10-11-25-17(18(15,22)16(20)21)27(23,24)14-4-2-1-3-5-14/h1-9,15,17,22H,10-11H2,(H,20,21)