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

Systemtic Name: 3-phenylmethoxy-2-(3-sulfanylpropanoyloxy)propanoic acid Openeye Name: 3-benzyloxy-2-(3-sulfanylpropanoyloxy)propanoic acid CAS Name: 2-(3-mercapto-1-oxopropoxy)-3-phenylmethoxypropanoic acid IUPAC Name: 3-phenylmethoxy-2-(3-sulfanylpropanoyloxy)propanoic acid Traditional Name: 3-benzoxy-2-(3-mercaptopropanoyloxy)propionic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)O)OC(=O)CCS

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)O)OC(=O)CCS

InChI

InChI=1S/C13H16O5S/c14-12(6-7-19)18-11(13(15)16)9-17-8-10-4-2-1-3-5-10/h1-5,11,19H,6-9H2,(H,15,16)