2-[1-(carboxymethylsulfanyl)-1-(4-fluorophenyl)ethyl]sulfanylethanoic acid

Systemtic Name: 2-[1-(carboxymethylsulfanyl)-1-(4-fluorophenyl)ethyl]sulfanylethanoic acid Openeye Name: 2-[1-(carboxymethylsulfanyl)-1-(4-fluorophenyl)ethyl]sulfanylacetic acid CAS Name: 2-[[1-(carboxymethylthio)-1-(4-fluorophenyl)ethyl]thio]acetic acid IUPAC Name: 2-[1-(carboxymethylsulfanyl)-1-(4-fluorophenyl)ethyl]sulfanylacetic acid Traditional Name: 2-[[1-(carboxymethylthio)-1-(4-fluorophenyl)ethyl]thio]acetic acid Formula: C12H13FO4S2 MolecularWeight: 304.357623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)(SCC(=O)O)SCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)F)(SCC(=O)O)SCC(=O)O

InChI

InChI=1S/C12H13FO4S2/c1-12(18-6-10(14)15,19-7-11(16)17)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)