hydrogen sulfate; 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid

Systemtic Name: hydrogen sulfate; 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid Openeye Name: hydrogen sulfate; 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid CAS Name: hydrogen sulfate; 4-(1-pyridin-1-iumyl)-1-butanesulfonic acid IUPAC Name: hydrogen sulfate; 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid Traditional Name: 4-pyridin-1-ium-1-ylbutane-1-sulfonic acid bisulfate Formula: C9H15NO7S2 MolecularWeight: 313.3479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3S.H2O4S/c11-14(12,13)9-5-4-8-10-6-2-1-3-7-10;1-5(2,3)4/h1-3,6-7H,4-5,8-9H2;(H2,1,2,3,4)