3-[3-(carboxymethyloxy)-2-oxidanyl-1-phenyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(carboxymethyloxy)-2-oxidanyl-1-phenyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(carboxymethyloxy)-2-hydroxy-1-phenyl-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(carboxymethyloxy)-2-hydroxy-1-phenylpropyl]thio]propanoic acid IUPAC Name: 3-[3-(carboxymethyloxy)-2-hydroxy-1-phenylpropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(carboxymethyloxy)-2-hydroxy-1-phenyl-propyl]thio]propionic acid Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COCC(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(COCC(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C14H18O6S/c15-11(8-20-9-13(18)19)14(21-7-6-12(16)17)10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,16,17)(H,18,19)