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

Systemtic Name: 2-(phenylmethyl)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzyl-3-benzylsulfanyl-propanoic acid CAS Name: 2-(phenylmethyl)-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzyl-3-benzylsulfanylpropanoic acid Traditional Name: 2-benzyl-3-(benzylthio)propionic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H18O2S/c18-17(19)16(11-14-7-3-1-4-8-14)13-20-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,18,19)