2-(phenylmethyl)-3-propylsulfanyl-propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-propylsulfanyl-propanoic acid Openeye Name: 2-benzyl-3-propylsulfanyl-propanoic acid CAS Name: 2-(phenylmethyl)-3-(propylthio)propanoic acid IUPAC Name: 2-benzyl-3-propylsulfanylpropanoic acid Traditional Name: 2-benzyl-3-(propylthio)propionic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCSCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H18O2S/c1-2-8-16-10-12(13(14)15)9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,15)