(E)-but-2-enedioic acid; [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate

Systemtic Name: (E)-but-2-enedioic acid; [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate Openeye Name: fumaric acid; [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate CAS Name: (E)-2-butenedioic acid; 2-propenoic acid [2-(hydroxymethyl)-3-(1-oxoprop-2-enoxy)-2-(1-oxoprop-2-enoxymethyl)propyl] ester IUPAC Name: (E)-but-2-enedioic acid; [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate Traditional Name: acrylic acid [2,2-bis(acryloyloxymethyl)-3-hydroxy-propyl] ester; fumaric acid Formula: C18H22O11 MolecularWeight: 414.36068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18O7.C4H4O4/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3;5-3(6)1-2-4(7)8/h4-6,15H,1-3,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+