(E)-but-2-enedioic acid; 1-(propan-2-ylamino)propane-1,3-diol

Systemtic Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)propane-1,3-diol Openeye Name: fumaric acid; 1-(isopropylamino)propane-1,3-diol CAS Name: (E)-2-butenedioic acid; 1-(propan-2-ylamino)propane-1,3-diol IUPAC Name: (E)-but-2-enedioic acid; 1-(propan-2-ylamino)propane-1,3-diol Traditional Name: fumaric acid; 1-(isopropylamino)propane-1,3-diol Formula: C10H19NO6 MolecularWeight: 249.26096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CCO)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NC(CCO)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H15NO2.C4H4O4/c1-5(2)7-6(9)3-4-8;5-3(6)1-2-4(7)8/h5-9H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+