2-nitrooxy-3-[4-(2-nitrooxyethyl)piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 2-nitrooxy-3-[4-(2-nitrooxyethyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 2-nitrooxy-3-[4-(2-nitrooxyethyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 2-nitrooxy-3-[4-(2-nitrooxyethyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 2-nitrooxy-3-[4-(2-nitrooxyethyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 2-nitrooxy-3-[4-(2-nitrooxyethyl)piperazino]propane-1-sulfonic acid Formula: C9H18N4O9S MolecularWeight: 358.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO[N+](=O)[O-])CC(CS(=O)(=O)O)O[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO[N+](=O)[O-])CC(CS(=O)(=O)O)O[N+](=O)[O-]

InChI

InChI=1S/C9H18N4O9S/c14-12(15)21-6-5-10-1-3-11(4-2-10)7-9(22-13(16)17)8-23(18,19)20/h9H,1-8H2,(H,18,19,20)