(E)-but-2-enedioic acid; cyclobutene-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; cyclobutene-1-carboxylate Openeye Name: cyclobutene-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-cyclobutenecarboxylate IUPAC Name: (E)-but-2-enedioic acid; cyclobutene-1-carboxylate Traditional Name: cyclobutene-1-carboxylate; fumaric acid Formula: C9H9O6- MolecularWeight: 213.16416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H6O2.C4H4O4/c6-5(7)4-2-1-3-4;5-3(6)1-2-4(7)8/h2H,1,3H2,(H,6,7);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+