(E)-but-2-enedioate; 5-(thiophen-3-ylmethyl)-1H-imidazole

Systemtic Name: (E)-but-2-enedioate; 5-(thiophen-3-ylmethyl)-1H-imidazole Openeye Name: (E)-but-2-enedioate; 5-(3-thienylmethyl)-1H-imidazole CAS Name: (E)-2-butenedioate; 5-(3-thiophenylmethyl)-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-(thiophen-3-ylmethyl)-1H-imidazole Traditional Name: 5-(3-thenyl)-1H-imidazole fumarate Formula: C12H10N2O4S-2 MolecularWeight: 278.2838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CC2=CN=CN2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CSC=C1CC2=CN=CN2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H8N2S.C4H4O4/c1-2-11-5-7(1)3-8-4-9-6-10-8;5-3(6)1-2-4(7)8/h1-2,4-6H,3H2,(H,9,10);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+