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

Systemtic Name: 4-[3-(4-chloranylphenoxy)propylsulfanylmethyl]oxane-4-carboxylic acid Openeye Name: 4-[3-(4-chlorophenoxy)propylsulfanylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[[3-(4-chlorophenoxy)propylthio]methyl]-4-oxanecarboxylic acid IUPAC Name: 4-[3-(4-chlorophenoxy)propylsulfanylmethyl]oxane-4-carboxylic acid Traditional Name: 4-[[3-(4-chlorophenoxy)propylthio]methyl]tetrahydropyran-4-carboxylic acid Formula: C16H21ClO4S MolecularWeight: 344.85354

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CSCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1COCCC1(CSCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H21ClO4S/c17-13-2-4-14(5-3-13)21-8-1-11-22-12-16(15(18)19)6-9-20-10-7-16/h2-5H,1,6-12H2,(H,18,19)