(E)-but-2-enedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: (E)-but-2-enedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: (E)-but-2-enedioic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; fumaric acid Formula: C10H18O7 MolecularWeight: 250.24572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O3.C4H4O4/c1-2-6(3-7,4-8)5-9;5-3(6)1-2-4(7)8/h7-9H,2-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+