1-[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxidanylidene-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxidanylidene-3H-benzimidazole-5-sulfonic acid Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxo-3H-benzimidazole-5-sulfonic acid CAS Name: 1-[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxo-3H-benzimidazole-5-sulfonic acid IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxo-3H-benzimidazole-5-sulfonic acid Traditional Name: 1-(2,4-dichlorobenzyl)-2-keto-6-nitro-3H-benzimidazole-5-sulfonic acid Formula: C14H9Cl2N3O6S MolecularWeight: 418.20876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C3=CC(=C(C=C3NC2=O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C3=CC(=C(C=C3NC2=O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H9Cl2N3O6S/c15-8-2-1-7(9(16)3-8)6-18-11-5-12(19(21)22)13(26(23,24)25)4-10(11)17-14(18)20/h1-5H,6H2,(H,17,20)(H,23,24,25)