ethanenitrile; hydrogen sulfate; 1-(4-methylcyclohexyl)ethanone

Systemtic Name: ethanenitrile; hydrogen sulfate; 1-(4-methylcyclohexyl)ethanone Openeye Name: acetonitrile; hydrogen sulfate; 1-(4-methylcyclohexyl)ethanone CAS Name: acetonitrile; hydrogen sulfate; 1-(4-methylcyclohexyl)ethanone IUPAC Name: acetonitrile; hydrogen sulfate; 1-(4-methylcyclohexyl)ethanone Traditional Name: acetonitrile; 1-(4-methylcyclohexyl)ethanone; bisulfate Formula: C11H19NO5S MolecularWeight: 277.33726

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C[C+]1CCC(CC1)C(=O)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC#N.C[C+]1CCC(CC1)C(=O)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C9H15O.C2H3N.H2O4S/c1-7-3-5-9(6-4-7)8(2)10;1-2-3;1-5(2,3)4/h9H,3-6H2,1-2H3;1H3;(H2,1,2,3,4)/q+1;;/p-1