(E)-but-2-enedioic acid; 5-(oxiran-2-ylmethyl)cyclopentene-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 5-(oxiran-2-ylmethyl)cyclopentene-1-carboxylate Openeye Name: fumaric acid; 5-(oxiran-2-ylmethyl)cyclopentene-1-carboxylate CAS Name: (E)-2-butenedioic acid; 5-(2-oxiranylmethyl)-1-cyclopentenecarboxylate IUPAC Name: (E)-but-2-enedioic acid; 5-(oxiran-2-ylmethyl)cyclopentene-1-carboxylate Traditional Name: fumaric acid; 5-glycidylcyclopentene-1-carboxylate Formula: C13H15O7- MolecularWeight: 283.254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=C1)C(=O)[O-])CC2CO2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(C(=C1)C(=O)[O-])CC2CO2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H12O3.C4H4O4/c10-9(11)8-3-1-2-6(8)4-7-5-12-7;5-3(6)1-2-4(7)8/h3,6-7H,1-2,4-5H2,(H,10,11);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+