azanium 3-chloranyl-5-nitro-4-oxidanyl-benzenesulfonate

Systemtic Name: azanium 3-chloranyl-5-nitro-4-oxidanyl-benzenesulfonate Openeye Name: ammonium 3-chloro-4-hydroxy-5-nitro-benzenesulfonate CAS Name: ammonium 3-chloro-4-hydroxy-5-nitrobenzenesulfonate IUPAC Name: azanium 3-chloro-4-hydroxy-5-nitrobenzenesulfonate Traditional Name: ammonium 3-chloro-4-hydroxy-5-nitro-besylate Formula: C6H7ClN2O6S MolecularWeight: 270.64758

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

C1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C6H4ClNO6S.H3N/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11;/h1-2,9H,(H,12,13,14);1H3