N,N-diethylethanamine; ethanoic acid; propan-2-ol; hydrate

Systemtic Name: N,N-diethylethanamine; ethanoic acid; propan-2-ol; hydrate Openeye Name: acetic acid; N,N-diethylethanamine; propan-2-ol; hydrate CAS Name: acetic acid; N,N-diethylethanamine; 2-propanol; hydrate IUPAC Name: acetic acid; N,N-diethylethanamine; propan-2-ol; hydrate Traditional Name: acetic acid; propan-2-ol; triethylamine; hydrate Formula: C11H29NO4 MolecularWeight: 239.35226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)O.CC(=O)O.O

Isomeric SMILES

CCN(CC)CC.CC(C)O.CC(=O)O.O

InChI

InChI=1S/C6H15N.C3H8O.C2H4O2.H2O/c1-4-7(5-2)6-3;1-3(2)4;1-2(3)4;/h4-6H2,1-3H3;3-4H,1-2H3;1H3,(H,3,4);1H2