6-chloranyl-4-(4-oxidanyl-4-oxidanylidene-butyl)-1H-benzimidazole-2-carboxylic acid

Systemtic Name: 6-chloranyl-4-(4-oxidanyl-4-oxidanylidene-butyl)-1H-benzimidazole-2-carboxylic acid Openeye Name: 6-chloro-4-(4-hydroxy-4-oxo-butyl)-1H-benzimidazole-2-carboxylic acid CAS Name: 6-chloro-4-(4-hydroxy-4-oxobutyl)-1H-benzimidazole-2-carboxylic acid IUPAC Name: 6-chloro-4-(4-hydroxy-4-oxobutyl)-1H-benzimidazole-2-carboxylic acid Traditional Name: 6-chloro-4-(4-hydroxy-4-keto-butyl)-1H-benzimidazole-2-carboxylic acid Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=N2)C(=O)O)CCCC(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C2=C1NC(=N2)C(=O)O)CCCC(=O)O)Cl

InChI

InChI=1S/C12H11ClN2O4/c13-7-4-6(2-1-3-9(16)17)10-8(5-7)14-11(15-10)12(18)19/h4-5H,1-3H2,(H,14,15)(H,16,17)(H,18,19)