4-[oxidanyl(quinolin-4-yl)methyl]imidazole-1-sulfonic acid

Systemtic Name: 4-[oxidanyl(quinolin-4-yl)methyl]imidazole-1-sulfonic acid Openeye Name: 4-[hydroxy(4-quinolyl)methyl]imidazole-1-sulfonic acid CAS Name: 4-[hydroxy(4-quinolinyl)methyl]-1-imidazolesulfonic acid IUPAC Name: 4-[hydroxy(quinolin-4-yl)methyl]imidazole-1-sulfonic acid Traditional Name: 4-[hydroxy(4-quinolyl)methyl]imidazole-1-sulfonic acid Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(C3=CN(C=N3)S(=O)(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(C3=CN(C=N3)S(=O)(=O)O)O

InChI

InChI=1S/C13H11N3O4S/c17-13(12-7-16(8-15-12)21(18,19)20)10-5-6-14-11-4-2-1-3-9(10)11/h1-8,13,17H,(H,18,19,20)