2-(3-ethanoylsulfanylpropanoyloxy)-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyloxy)-3-phenylmethoxy-propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoyloxy)-3-benzyloxy-propanoic acid CAS Name: 2-[3-(acetylthio)-1-oxopropoxy]-3-phenylmethoxypropanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyloxy)-3-phenylmethoxypropanoic acid Traditional Name: 2-[3-(acetylthio)propanoyloxy]-3-benzoxy-propionic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)OC(COCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)OC(COCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H18O6S/c1-11(16)22-8-7-14(17)21-13(15(18)19)10-20-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,18,19)