3-[4-(4-chloranylphenoxy)phenyl]sulfonyl-6-(2-methoxyethoxy)oxane-3-carboxylic acid

Systemtic Name: 3-[4-(4-chloranylphenoxy)phenyl]sulfonyl-6-(2-methoxyethoxy)oxane-3-carboxylic acid Openeye Name: 3-[4-(4-chlorophenoxy)phenyl]sulfonyl-6-(2-methoxyethoxy)tetrahydropyran-3-carboxylic acid CAS Name: 3-[4-(4-chlorophenoxy)phenyl]sulfonyl-6-(2-methoxyethoxy)-3-oxanecarboxylic acid IUPAC Name: 3-[4-(4-chlorophenoxy)phenyl]sulfonyl-6-(2-methoxyethoxy)oxane-3-carboxylic acid Traditional Name: 3-[4-(4-chlorophenoxy)phenyl]sulfonyl-6-(2-methoxyethoxy)tetrahydropyran-3-carboxylic acid Formula: C21H23ClO8S MolecularWeight: 470.92052

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1CCC(CO1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

COCCOC1CCC(CO1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClO8S/c1-27-12-13-28-19-10-11-21(14-29-19,20(23)24)31(25,26)18-8-6-17(7-9-18)30-16-4-2-15(22)3-5-16/h2-9,19H,10-14H2,1H3,(H,23,24)