5-[(3-oxidanylthiophen-2-yl)methyl]imidazole-1-sulfonic acid

Systemtic Name: 5-[(3-oxidanylthiophen-2-yl)methyl]imidazole-1-sulfonic acid Openeye Name: 5-[(3-hydroxy-2-thienyl)methyl]imidazole-1-sulfonic acid CAS Name: 5-[(3-hydroxy-2-thiophenyl)methyl]-1-imidazolesulfonic acid IUPAC Name: 5-[(3-hydroxythiophen-2-yl)methyl]imidazole-1-sulfonic acid Traditional Name: 5-[(3-hydroxy-2-thienyl)methyl]imidazole-1-sulfonic acid Formula: C8H8N2O4S2 MolecularWeight: 260.29012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1O)CC2=CN=CN2S(=O)(=O)O

Isomeric SMILES

C1=CSC(=C1O)CC2=CN=CN2S(=O)(=O)O

InChI

InChI=1S/C8H8N2O4S2/c11-7-1-2-15-8(7)3-6-4-9-5-10(6)16(12,13)14/h1-2,4-5,11H,3H2,(H,12,13,14)