2-[(4-chlorophenyl)sulfanylmethyl]-2-(oxan-2-yloxy)propanedioic acid

Systemtic Name: 2-[(4-chlorophenyl)sulfanylmethyl]-2-(oxan-2-yloxy)propanedioic acid Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]-2-tetrahydropyran-2-yloxy-propanedioic acid CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-2-(2-oxanyloxy)propanedioic acid IUPAC Name: 2-[(4-chlorophenyl)sulfanylmethyl]-2-(oxan-2-yloxy)propanedioic acid Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-2-tetrahydropyran-2-yloxy-malonic acid Formula: C15H17ClO6S MolecularWeight: 360.80988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC(CSC2=CC=C(C=C2)Cl)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)OC(CSC2=CC=C(C=C2)Cl)(C(=O)O)C(=O)O

InChI

InChI=1S/C15H17ClO6S/c16-10-4-6-11(7-5-10)23-9-15(13(17)18,14(19)20)22-12-3-1-2-8-21-12/h4-7,12H,1-3,8-9H2,(H,17,18)(H,19,20)