4-[3-(4-chloranylphenoxy)propylsulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 4-[3-(4-chloranylphenoxy)propylsulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[3-(4-chlorophenoxy)propylsulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[3-(4-chlorophenoxy)propylsulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 4-[3-(4-chlorophenoxy)propylsulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[3-(4-chlorophenoxy)propylsulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C16H21ClO6S MolecularWeight: 376.85234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CS(=O)(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1COCCC1(CS(=O)(=O)CCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H21ClO6S/c17-13-2-4-14(5-3-13)23-8-1-11-24(20,21)12-16(15(18)19)6-9-22-10-7-16/h2-5H,1,6-12H2,(H,18,19)