(E)-but-2-enedioic acid; N1,N1-dimethylcycloheptane-1,2-diamine

Systemtic Name: (E)-but-2-enedioic acid; N1,N1-dimethylcycloheptane-1,2-diamine Openeye Name: N1,N1-dimethylcycloheptane-1,2-diamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N1,N1-dimethylcycloheptane-1,2-diamine IUPAC Name: (E)-but-2-enedioic acid; 1-N,1-N-dimethylcycloheptane-1,2-diamine Traditional Name: (2-aminocycloheptyl)-dimethyl-amine; fumaric acid Formula: C13H24N2O4 MolecularWeight: 272.34066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCCCCC1N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1CCCCCC1N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H20N2.C4H4O4/c1-11(2)9-7-5-3-4-6-8(9)10;5-3(6)1-2-4(7)8/h8-9H,3-7,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+