butanoate; N,N-diethylethanamine; hexane

Systemtic Name: butanoate; N,N-diethylethanamine; hexane Openeye Name: butanoate; N,N-diethylethanamine; hexane CAS Name: butanoate; N,N-diethylethanamine; hexane IUPAC Name: butanoate; N,N-diethylethanamine; hexane Traditional Name: butyrate; n-hexane; triethylamine Formula: C16H36NO2- MolecularWeight: 274.46254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCCC(=O)[O-].CCN(CC)CC

Isomeric SMILES

CCCCCC.CCCC(=O)[O-].CCN(CC)CC

InChI

InChI=1S/C6H15N.C6H14.C4H8O2/c1-4-7(5-2)6-3;1-3-5-6-4-2;1-2-3-4(5)6/h4-6H2,1-3H3;3-6H2,1-2H3;2-3H2,1H3,(H,5,6)/p-1