4-[3-(phenylmethylsulfanyl)phenyl]butanoic acid

Systemtic Name: 4-[3-(phenylmethylsulfanyl)phenyl]butanoic acid Openeye Name: 4-(3-benzylsulfanylphenyl)butanoic acid CAS Name: 4-[3-(phenylmethylthio)phenyl]butanoic acid IUPAC Name: 4-(3-benzylsulfanylphenyl)butanoic acid Traditional Name: 4-[3-(benzylthio)phenyl]butyric acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC(=C2)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC(=C2)CCCC(=O)O

InChI

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