(E)-but-2-enedioic acid; 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanylmethylsulfanyl]ethyl]imidazole

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanylmethylsulfanyl]ethyl]imidazole Openeye Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanylmethylsulfanyl]ethyl]imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[2-(2,4-dichlorophenyl)-2-[[(2,4-dichlorophenyl)methylthio]methylthio]ethyl]imidazole IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanylmethylsulfanyl]ethyl]imidazole Traditional Name: 1-[2-[[(2,4-dichlorobenzyl)thio]methylthio]-2-(2,4-dichlorophenyl)ethyl]imidazole; fumaric acid Formula: C23H20Cl4N2O4S2 MolecularWeight: 594.3579

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CSCSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CSCSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H16Cl4N2S2.C4H4O4/c20-14-2-1-13(17(22)7-14)10-26-12-27-19(9-25-6-5-24-11-25)16-4-3-15(21)8-18(16)23;5-3(6)1-2-4(7)8/h1-8,11,19H,9-10,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+