(E)-but-2-enedioic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: (E)-but-2-enedioic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: fumaric acid; 2-(4-isobutylphenyl)propanoic acid CAS Name: (E)-2-butenedioic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: (E)-but-2-enedioic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: fumaric acid; 2-(4-isobutylphenyl)propionic acid Formula: C17H22O6 MolecularWeight: 322.35298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H18O2.C4H4O4/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;5-3(6)1-2-4(7)8/h4-7,9-10H,8H2,1-3H3,(H,14,15);1-2H,(H,5,6)(H,7,8)/b;2-1+