4-(4-cyanobutylsulfanyl)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCCCC#N

InChI

InChI=1S/C12H13NO2S/c13-8-2-1-3-9-16-11-6-4-10(5-7-11)12(14)15/h4-7H,1-3,9H2,(H,14,15)