(E)-but-2-enedioic acid; 2-methylideneheptanoate

Systemtic Name: (E)-but-2-enedioic acid; 2-methylideneheptanoate Openeye Name: fumaric acid; 2-methyleneheptanoate CAS Name: (E)-2-butenedioic acid; 2-methyleneheptanoate IUPAC Name: (E)-but-2-enedioic acid; 2-methylideneheptanoate Traditional Name: 2-amylacrylate; fumaric acid Formula: C12H17O6- MolecularWeight: 257.25978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C)C(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(=C)C(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H14O2.C4H4O4/c1-3-4-5-6-7(2)8(9)10;5-3(6)1-2-4(7)8/h2-6H2,1H3,(H,9,10);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+