potassium 2-acetyloxy-5-(5-nitrooxypentanoyloxy)benzenesulfonate

Systemtic Name: potassium 2-acetyloxy-5-(5-nitrooxypentanoyloxy)benzenesulfonate Openeye Name: potassium 2-acetoxy-5-(5-nitrooxypentanoyloxy)benzenesulfonate CAS Name: potassium 2-acetyloxy-5-(5-nitrooxy-1-oxopentoxy)benzenesulfonate IUPAC Name: potassium 2-acetyloxy-5-(5-nitrooxypentanoyloxy)benzenesulfonate Traditional Name: potassium 2-acetoxy-5-(5-nitrooxypentanoyloxy)besylate Formula: C13H14KNO10S MolecularWeight: 415.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)[O-].[K+]

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C13H15NO10S.K/c1-9(15)23-11-6-5-10(8-12(11)25(19,20)21)24-13(16)4-2-3-7-22-14(17)18;/h5-6,8H,2-4,7H2,1H3,(H,19,20,21);/q;+1/p-1