(E)-but-2-enedioic acid; [(1E)-4-methylpenta-1,3-dienyl]benzene

Systemtic Name: (E)-but-2-enedioic acid; [(1E)-4-methylpenta-1,3-dienyl]benzene Openeye Name: fumaric acid; [(1E)-4-methylpenta-1,3-dienyl]benzene CAS Name: (E)-2-butenedioic acid; [(1E)-4-methylpenta-1,3-dienyl]benzene IUPAC Name: (E)-but-2-enedioic acid; [(1E)-4-methylpenta-1,3-dienyl]benzene Traditional Name: fumaric acid; [(1E)-4-methylpenta-1,3-dienyl]benzene Formula: C16H18O4 MolecularWeight: 274.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=CC1=CC=CC=C1)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=C/C=C/C1=CC=CC=C1)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14.C4H4O4/c1-11(2)7-6-10-12-8-4-3-5-9-12;5-3(6)1-2-4(7)8/h3-10H,1-2H3;1-2H,(H,5,6)(H,7,8)/b10-6+;2-1+