(E)-but-2-enedioic acid; (4E)-3-methyl-2-methylidene-hepta-4,6-dienoate

Systemtic Name: (E)-but-2-enedioic acid; (4E)-3-methyl-2-methylidene-hepta-4,6-dienoate Openeye Name: fumaric acid; (4E)-3-methyl-2-methylene-hepta-4,6-dienoate CAS Name: (E)-2-butenedioic acid; (4E)-3-methyl-2-methylenehepta-4,6-dienoate IUPAC Name: (E)-but-2-enedioic acid; (4E)-3-methyl-2-methylidenehepta-4,6-dienoate Traditional Name: fumaric acid; (4E)-3-methyl-2-methylene-hepta-4,6-dienoate Formula: C13H15O6- MolecularWeight: 267.2546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O2.C4H4O4/c1-4-5-6-7(2)8(3)9(10)11;5-3(6)1-2-4(7)8/h4-7H,1,3H2,2H3,(H,10,11);1-2H,(H,5,6)(H,7,8)/p-1/b6-5+;2-1+