5-(2-methylpropylsulfanyl)-2-nitro-benzoic acid

Systemtic Name: 5-(2-methylpropylsulfanyl)-2-nitro-benzoic acid Openeye Name: 5-isobutylsulfanyl-2-nitro-benzoic acid CAS Name: 5-(2-methylpropylthio)-2-nitrobenzoic acid IUPAC Name: 5-(2-methylpropylsulfanyl)-2-nitrobenzoic acid Traditional Name: 5-(isobutylthio)-2-nitro-benzoic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H13NO4S/c1-7(2)6-17-8-3-4-10(12(15)16)9(5-8)11(13)14/h3-5,7H,6H2,1-2H3,(H,13,14)