(E)-but-2-enedioate; N,N-dimethylethanamine; 2,2-dimethylpropanoate

Systemtic Name: (E)-but-2-enedioate; N,N-dimethylethanamine; 2,2-dimethylpropanoate Openeye Name: (E)-but-2-enedioate; N,N-dimethylethanamine; 2,2-dimethylpropanoate CAS Name: (E)-2-butenedioate; N,N-dimethylethanamine; 2,2-dimethylpropanoate IUPAC Name: (E)-but-2-enedioate; N,N-dimethylethanamine; 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionate; ethyl(dimethyl)amine; fumarate Formula: C13H21NO6-3 MolecularWeight: 287.30894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[O-].CN(C)C[CH2].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)[O-].CN(C)C[CH2].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C5H10O2.C4H10N.C4H4O4/c1-5(2,3)4(6)7;1-4-5(2)3;5-3(6)1-2-4(7)8/h1-3H3,(H,6,7);1,4H2,2-3H3;1-2H,(H,5,6)(H,7,8)/p-3/b;;2-1+