2-[oxidanyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]imidazole-1-sulfonic acid

Systemtic Name: 2-[oxidanyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]imidazole-1-sulfonic acid Openeye Name: 2-[hydroxy(4,5,6,7-tetrahydrobenzothiophen-2-yl)methyl]imidazole-1-sulfonic acid CAS Name: 2-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1-imidazolesulfonic acid IUPAC Name: 2-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]imidazole-1-sulfonic acid Traditional Name: 2-[hydroxy(4,5,6,7-tetrahydrobenzothiophen-2-yl)methyl]imidazole-1-sulfonic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(C3=NC=CN3S(=O)(=O)O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(C3=NC=CN3S(=O)(=O)O)O

InChI

InChI=1S/C12H14N2O4S2/c15-11(12-13-5-6-14(12)20(16,17)18)10-7-8-3-1-2-4-9(8)19-10/h5-7,11,15H,1-4H2,(H,16,17,18)