(E)-but-2-enedioic acid; ethenyl ethanoate; furan-2,5-dione

Systemtic Name: (E)-but-2-enedioic acid; ethenyl ethanoate; furan-2,5-dione Openeye Name: fumaric acid; furan-2,5-dione; vinyl acetate CAS Name: acetic acid ethenyl ester; (E)-2-butenedioic acid; furan-2,5-dione IUPAC Name: (E)-but-2-enedioic acid; ethenyl acetate; furan-2,5-dione Traditional Name: acetic acid vinyl ester; fumaric acid; furan-2,5-quinone Formula: C12H12O9 MolecularWeight: 300.21828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC=C.C1=CC(=O)OC1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC=C.C1=CC(=O)OC1=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H4O4.C4H2O3.C4H6O2/c5-3(6)1-2-4(7)8;5-3-1-2-4(6)7-3;1-3-6-4(2)5/h1-2H,(H,5,6)(H,7,8);1-2H;3H,1H2,2H3/b2-1+;;