3-(4-butylphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-butylphenyl)sulfanylpropanoic acid Openeye Name: 3-(4-butylphenyl)sulfanylpropanoic acid CAS Name: 3-[(4-butylphenyl)thio]propanoic acid IUPAC Name: 3-(4-butylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-butylphenyl)thio]propionic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCCC(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)SCCC(=O)O

InChI

InChI=1S/C13H18O2S/c1-2-3-4-11-5-7-12(8-6-11)16-10-9-13(14)15/h5-8H,2-4,9-10H2,1H3,(H,14,15)