(E)-but-2-enedioic acid; 4-ethyl-2-methylidene-octanoate

Systemtic Name: (E)-but-2-enedioic acid; 4-ethyl-2-methylidene-octanoate Openeye Name: 4-ethyl-2-methylene-octanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-ethyl-2-methyleneoctanoate IUPAC Name: (E)-but-2-enedioic acid; 4-ethyl-2-methylideneoctanoate Traditional Name: 2-(2-ethylhexyl)acrylate; fumaric acid Formula: C15H23O6- MolecularWeight: 299.33952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O2.C4H4O4/c1-4-6-7-10(5-2)8-9(3)11(12)13;5-3(6)1-2-4(7)8/h10H,3-8H2,1-2H3,(H,12,13);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+