4-(2-methylpropylsulfanyl)-3-nitro-benzoate

Systemtic Name: 4-(2-methylpropylsulfanyl)-3-nitro-benzoate Openeye Name: 4-isobutylsulfanyl-3-nitro-benzoate CAS Name: 4-(2-methylpropylthio)-3-nitrobenzoate IUPAC Name: 4-(2-methylpropylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isobutylthio)-3-nitro-benzoate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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