2-[3-(4-chlorophenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]thio]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(4-chlorobenzyl)-2-keto-2-methoxy-ethyl]thio]acetic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)Cl)SCC(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)Cl)SCC(=O)O

InChI

InChI=1S/C12H13ClO4S/c1-17-12(16)10(18-7-11(14)15)6-8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)