3-[4-(3-methylbutylsulfanyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(3-methylbutylsulfanyl)phenyl]propanoic acid Openeye Name: 3-(4-isopentylsulfanylphenyl)propanoic acid CAS Name: 3-[4-(3-methylbutylthio)phenyl]propanoic acid IUPAC Name: 3-[4-(3-methylbutylsulfanyl)phenyl]propanoic acid Traditional Name: 3-[4-(isoamylthio)phenyl]propionic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CC(C)CCSC1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C14H20O2S/c1-11(2)9-10-17-13-6-3-12(4-7-13)5-8-14(15)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,16)