2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-phenoxy-propanoic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-phenoxy-propanoic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)oxy-3-phenoxy-propanoic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropoxy)-3-phenoxypropanoic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)oxy-3-phenoxypropanoic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)oxy-3-phenoxy-propionic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(COC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS)C(=O)OC(COC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O5S/c1-9(8-19)13(16)18-11(12(14)15)7-17-10-5-3-2-4-6-10/h2-6,9,11,19H,7-8H2,1H3,(H,14,15)