hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid Openeye Name: hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid CAS Name: hydrogen sulfate; 3-(3-methyl-1-imidazol-3-iumyl)-1-propanesulfonic acid IUPAC Name: hydrogen sulfate; 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid bisulfate Formula: C7H14N2O7S2 MolecularWeight: 302.32526

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCCS(=O)(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCCS(=O)(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C7H12N2O3S.H2O4S/c1-8-4-5-9(7-8)3-2-6-13(10,11)12;1-5(2,3)4/h4-5,7H,2-3,6H2,1H3;(H2,1,2,3,4)