2-(4-cyanobutylsulfanyl)benzoic acid

Systemtic Name: 2-(4-cyanobutylsulfanyl)benzoic acid Openeye Name: 2-(4-cyanobutylsulfanyl)benzoic acid CAS Name: 2-(4-cyanobutylthio)benzoic acid IUPAC Name: 2-(4-cyanobutylsulfanyl)benzoic acid Traditional Name: 2-(4-cyanobutylthio)benzoic acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCCCC#N

InChI

InChI=1S/C12H13NO2S/c13-8-4-1-5-9-16-11-7-3-2-6-10(11)12(14)15/h2-3,6-7H,1,4-5,9H2,(H,14,15)