4-butan-2-ylsulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-butan-2-ylsulfanyl-3-nitro-benzoic acid Openeye Name: 3-nitro-4-sec-butylsulfanyl-benzoic acid CAS Name: 4-(butan-2-ylthio)-3-nitrobenzoic acid IUPAC Name: 4-butan-2-ylsulfanyl-3-nitrobenzoic acid Traditional Name: 3-nitro-4-(sec-butylthio)benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-3-7(2)17-10-5-4-8(11(13)14)6-9(10)12(15)16/h4-7H,3H2,1-2H3,(H,13,14)