(E)-but-2-enedioic acid; N,N-diethylethanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethylethanamine Openeye Name: N,N-diethylethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethylethanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-diethylethanamine Traditional Name: fumaric acid; triethylamine Formula: C16H34N2O4 MolecularWeight: 318.45216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H15N.C4H4O4/c2*1-4-7(5-2)6-3;5-3(6)1-2-4(7)8/h2*4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+