(E)-but-2-enedioic acid; 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1H-imidazole Openeye Name: 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1H-imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(3,4-dimethyl-1-cyclohex-3-enyl)methyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1H-imidazole Traditional Name: 5-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-1H-imidazole; fumaric acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1)CC2=CN=CN2)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CC(CC1)CC2=CN=CN2)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2.C4H4O4/c1-9-3-4-11(5-10(9)2)6-12-7-13-8-14-12;5-3(6)1-2-4(7)8/h7-8,11H,3-6H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+