(E)-but-2-enedioic acid; 5-ethylbicyclo[2.2.1]hept-2-ene

Systemtic Name: (E)-but-2-enedioic acid; 5-ethylbicyclo[2.2.1]hept-2-ene Openeye Name: 5-ethylbicyclo[2.2.1]hept-2-ene; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-ethylbicyclo[2.2.1]hept-2-ene IUPAC Name: (E)-but-2-enedioic acid; 5-ethylbicyclo[2.2.1]hept-2-ene Traditional Name: 5-ethylbicyclo[2.2.1]hept-2-ene; fumaric acid Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2CC1C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1CC2CC1C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H14.C4H4O4/c1-2-8-5-7-3-4-9(8)6-7;5-3(6)1-2-4(7)8/h3-4,7-9H,2,5-6H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+