(E)-but-2-enedioic acid; ethyl 2-methylidenebutanoate

Systemtic Name: (E)-but-2-enedioic acid; ethyl 2-methylidenebutanoate Openeye Name: ethyl 2-methylenebutanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-methylenebutanoic acid ethyl ester IUPAC Name: (E)-but-2-enedioic acid; ethyl 2-methylidenebutanoate Traditional Name: 2-ethylacrylic acid ethyl ester; fumaric acid Formula: C18H28O8 MolecularWeight: 372.41012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=O)OCC.CCC(=C)C(=O)OCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC(=C)C(=O)OCC.CCC(=C)C(=O)OCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C7H12O2.C4H4O4/c2*1-4-6(3)7(8)9-5-2;5-3(6)1-2-4(7)8/h2*3-5H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+