potassium 4-(butylamino)-3-nitro-benzenesulfonate

Systemtic Name: potassium 4-(butylamino)-3-nitro-benzenesulfonate Openeye Name: potassium 4-(butylamino)-3-nitro-benzenesulfonate CAS Name: potassium 4-(butylamino)-3-nitrobenzenesulfonate IUPAC Name: potassium 4-(butylamino)-3-nitrobenzenesulfonate Traditional Name: potassium 4-(butylamino)-3-nitro-besylate Formula: C10H13KN2O5S MolecularWeight: 312.38392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O5S.K/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);/q;+1/p-1