(E)-but-2-enedioic acid; (E)-4-octoxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-but-2-enedioic acid; (E)-4-octoxy-4-oxidanylidene-but-2-enoic acid Openeye Name: fumaric acid; (E)-4-octoxy-4-oxo-but-2-enoic acid CAS Name: (E)-2-butenedioic acid; (E)-4-octoxy-4-oxo-2-butenoic acid IUPAC Name: (E)-but-2-enedioic acid; (E)-4-octoxy-4-oxobut-2-enoic acid Traditional Name: fumaric acid; (E)-4-keto-4-octoxy-but-2-enoic acid Formula: C16H24O8 MolecularWeight: 344.35696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C=CC(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)/C=C/C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H20O4.C4H4O4/c1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;5-3(6)1-2-4(7)8/h8-9H,2-7,10H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b9-8+;2-1+