hydrogen sulfate; 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid

Systemtic Name: hydrogen sulfate; 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid Openeye Name: hydrogen sulfate; 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid CAS Name: hydrogen sulfate; 3-(1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: hydrogen sulfate; 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid Traditional Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid bisulfate Formula: C8H13NO7S2 MolecularWeight: 299.32132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S.H2O4S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9;1-5(2,3)4/h1-3,5-6H,4,7-8H2;(H2,1,2,3,4)