2-(carboxymethylsulfanyl)-3-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-3-(4-chloranylphenoxy)-2-methyl-propanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-3-(4-chlorophenoxy)-2-methyl-propanoic acid CAS Name: 2-(carboxymethylthio)-3-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-3-(4-chlorophenoxy)-2-methylpropanoic acid Traditional Name: 2-(carboxymethylthio)-3-(4-chlorophenoxy)-2-methyl-propionic acid Formula: C12H13ClO5S MolecularWeight: 304.74662

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)Cl)(C(=O)O)SCC(=O)O

Isomeric SMILES

CC(COC1=CC=C(C=C1)Cl)(C(=O)O)SCC(=O)O

InChI

InChI=1S/C12H13ClO5S/c1-12(11(16)17,19-6-10(14)15)7-18-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)