2-azanyl-5-butylsulfanyl-benzoic acid

Systemtic Name: 2-azanyl-5-butylsulfanyl-benzoic acid Openeye Name: 2-amino-5-butylsulfanyl-benzoic acid CAS Name: 2-amino-5-(butylthio)benzoic acid IUPAC Name: 2-amino-5-butylsulfanylbenzoic acid Traditional Name: 2-amino-5-(butylthio)benzoic acid Formula: C11H15NO2S MolecularWeight: 225.3073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)N)C(=O)O

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)N)C(=O)O

InChI

InChI=1S/C11H15NO2S/c1-2-3-6-15-8-4-5-10(12)9(7-8)11(13)14/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)