(E)-but-2-enedioic acid; 1-[(3,4-dimethylphenyl)methyl]imidazole

Systemtic Name: (E)-but-2-enedioic acid; 1-[(3,4-dimethylphenyl)methyl]imidazole Openeye Name: 1-[(3,4-dimethylphenyl)methyl]imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(3,4-dimethylphenyl)methyl]imidazole IUPAC Name: (E)-but-2-enedioic acid; 1-[(3,4-dimethylphenyl)methyl]imidazole Traditional Name: 1-(3,4-dimethylbenzyl)imidazole; fumaric acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C=CN=C2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C=CN=C2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N2.C4H4O4/c1-10-3-4-12(7-11(10)2)8-14-6-5-13-9-14;5-3(6)1-2-4(7)8/h3-7,9H,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+