2-(3-butylsulfanylphenyl)ethanoic acid

Systemtic Name: 2-(3-butylsulfanylphenyl)ethanoic acid Openeye Name: 2-(3-butylsulfanylphenyl)acetic acid CAS Name: 2-[3-(butylthio)phenyl]acetic acid IUPAC Name: 2-(3-butylsulfanylphenyl)acetic acid Traditional Name: 2-[3-(butylthio)phenyl]acetic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC(=C1)CC(=O)O

Isomeric SMILES

CCCCSC1=CC=CC(=C1)CC(=O)O

InChI

InChI=1S/C12H16O2S/c1-2-3-7-15-11-6-4-5-10(8-11)9-12(13)14/h4-6,8H,2-3,7,9H2,1H3,(H,13,14)