hydrogen sulfate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol

Systemtic Name: hydrogen sulfate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol Openeye Name: hydrogen sulfate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol CAS Name: hydrogen sulfate; 2-(4-pyrimidin-1-iumylmethylthio)ethanol IUPAC Name: hydrogen sulfate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol Traditional Name: 2-(pyrimidin-1-ium-4-ylmethylthio)ethanol bisulfate Formula: C7H12N2O5S2 MolecularWeight: 268.31058

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CN=C1CSCCO.OS(=O)(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CN=C1CSCCO.OS(=O)(=O)[O-]

InChI

InChI=1S/C7H10N2OS.H2O4S/c10-3-4-11-5-7-1-2-8-6-9-7;1-5(2,3)4/h1-2,6,10H,3-5H2;(H2,1,2,3,4)