5-methoxycarbonyl-1-(phenylmethyl)imidazole-2-sulfonic acid

Systemtic Name: 5-methoxycarbonyl-1-(phenylmethyl)imidazole-2-sulfonic acid Openeye Name: 1-benzyl-5-methoxycarbonyl-imidazole-2-sulfonic acid CAS Name: 5-methoxycarbonyl-1-(phenylmethyl)-2-imidazolesulfonic acid IUPAC Name: 1-benzyl-5-methoxycarbonylimidazole-2-sulfonic acid Traditional Name: 1-benzyl-5-carbomethoxy-imidazole-2-sulfonic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O5S/c1-19-11(15)10-7-13-12(20(16,17)18)14(10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,16,17,18)