(E)-but-2-enedioic acid; 2-(2-oxidanylpropoxycarbonyl)benzoic acid

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-oxidanylpropoxycarbonyl)benzoic acid Openeye Name: fumaric acid; 2-(2-hydroxypropoxycarbonyl)benzoic acid CAS Name: (E)-2-butenedioic acid; 2-[2-hydroxypropoxy(oxo)methyl]benzoic acid IUPAC Name: (E)-but-2-enedioic acid; 2-(2-hydroxypropoxycarbonyl)benzoic acid Traditional Name: fumaric acid; 2-(2-hydroxypropoxycarbonyl)benzoic acid Formula: C15H16O9 MolecularWeight: 340.28214

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1C(=O)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(COC(=O)C1=CC=CC=C1C(=O)O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H12O5.C4H4O4/c1-7(12)6-16-11(15)9-5-3-2-4-8(9)10(13)14;5-3(6)1-2-4(7)8/h2-5,7,12H,6H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+