(E)-but-2-enedioic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione

Systemtic Name: (E)-but-2-enedioic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione Openeye Name: 2,2-dimethylpropane-1,3-diol; fumaric acid; furan-2,5-dione CAS Name: (E)-2-butenedioic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethylpropane-1,3-diol; furan-2,5-dione Traditional Name: 2,2-dimethylpropane-1,3-diol; fumaric acid; furan-2,5-quinone Formula: C13H18O9 MolecularWeight: 318.27662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H12O2.C4H4O4.C4H2O3/c1-5(2,3-6)4-7;5-3(6)1-2-4(7)8;5-3-1-2-4(6)7-3/h6-7H,3-4H2,1-2H3;1-2H,(H,5,6)(H,7,8);1-2H/b;2-1+;