4-(butylamino)-3-nitro-benzenesulfonic acid

Systemtic Name: 4-(butylamino)-3-nitro-benzenesulfonic acid Openeye Name: 4-(butylamino)-3-nitro-benzenesulfonic acid CAS Name: 4-(butylamino)-3-nitrobenzenesulfonic acid IUPAC Name: 4-(butylamino)-3-nitrobenzenesulfonic acid Traditional Name: 4-(butylamino)-3-nitro-besylic acid Formula: C10H14N2O5S MolecularWeight: 274.29356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H14N2O5S/c1-2-3-6-11-9-5-4-8(18(15,16)17)7-10(9)12(13)14/h4-5,7,11H,2-3,6H2,1H3,(H,15,16,17)