sodium 1,3-bis[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxidanylidene-benzimidazole-5-sulfonate

Systemtic Name: sodium 1,3-bis[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxidanylidene-benzimidazole-5-sulfonate Openeye Name: sodium 1,3-bis[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxo-benzimidazole-5-sulfonate CAS Name: sodium 1,3-bis[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxo-5-benzimidazolesulfonate IUPAC Name: sodium 1,3-bis[(2,4-dichlorophenyl)methyl]-6-nitro-2-oxobenzimidazole-5-sulfonate Traditional Name: sodium 1,3-bis(2,4-dichlorobenzyl)-2-keto-6-nitro-benzimidazole-5-sulfonate Formula: C21H12Cl4N3NaO6S MolecularWeight: 599.20325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CN2C3=CC(=C(C=C3N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CN2C3=CC(=C(C=C3N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C21H13Cl4N3O6S.Na/c22-13-3-1-11(15(24)5-13)9-26-17-7-19(28(30)31)20(35(32,33)34)8-18(17)27(21(26)29)10-12-2-4-14(23)6-16(12)25;/h1-8H,9-10H2,(H,32,33,34);/q;+1/p-1