(E)-but-2-enedioic acid; 4-ethyl-2-methyl-heptan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 4-ethyl-2-methyl-heptan-2-amine Openeye Name: 4-ethyl-2-methyl-heptan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-ethyl-2-methyl-2-heptanamine IUPAC Name: (E)-but-2-enedioic acid; 4-ethyl-2-methylheptan-2-amine Traditional Name: (3-ethyl-1,1-dimethyl-hexyl)amine; fumaric acid Formula: C14H27NO4 MolecularWeight: 273.36848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CC(C)(C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC(CC)CC(C)(C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H23N.C4H4O4/c1-5-7-9(6-2)8-10(3,4)11;5-3(6)1-2-4(7)8/h9H,5-8,11H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+