ethyl 1,2-dimethylindazol-2-ium-3-carboxylate; hydrogen sulfate

Systemtic Name: ethyl 1,2-dimethylindazol-2-ium-3-carboxylate; hydrogen sulfate Openeye Name: ethyl 1,2-dimethylindazol-2-ium-3-carboxylate; hydrogen sulfate CAS Name: 1,2-dimethyl-3-indazol-2-iumcarboxylic acid ethyl ester; hydrogen sulfate IUPAC Name: ethyl 1,2-dimethylindazol-2-ium-3-carboxylate; hydrogen sulfate Traditional Name: 1,2-dimethylindazol-2-ium-3-carboxylic acid ethyl ester bisulfate Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](N(C2=CC=CC=C21)C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](N(C2=CC=CC=C21)C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C12H15N2O2.H2O4S/c1-4-16-12(15)11-9-7-5-6-8-10(9)13(2)14(11)3;1-5(2,3)4/h5-8H,4H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1