3-[[3-(acetyloxymethyl)phenyl]-ethanoylsulfanyl-methyl]sulfanylpropanoic acid

Systemtic Name: 3-[[3-(acetyloxymethyl)phenyl]-ethanoylsulfanyl-methyl]sulfanylpropanoic acid Openeye Name: 3-[[3-(acetoxymethyl)phenyl]-acetylsulfanyl-methyl]sulfanylpropanoic acid CAS Name: 3-[[[3-(acetyloxymethyl)phenyl]-(acetylthio)methyl]thio]propanoic acid IUPAC Name: 3-[[3-(acetyloxymethyl)phenyl]-acetylsulfanylmethyl]sulfanylpropanoic acid Traditional Name: 3-[[[3-(acetoxymethyl)phenyl]-(acetylthio)methyl]thio]propionic acid Formula: C15H18O5S2 MolecularWeight: 342.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=CC=C1)C(SCCC(=O)O)SC(=O)C

Isomeric SMILES

CC(=O)OCC1=CC(=CC=C1)C(SCCC(=O)O)SC(=O)C

InChI

InChI=1S/C15H18O5S2/c1-10(16)20-9-12-4-3-5-13(8-12)15(22-11(2)17)21-7-6-14(18)19/h3-5,8,15H,6-7,9H2,1-2H3,(H,18,19)