(2-methyl-5-nitro-phenyl) 2-chloranylbenzimidazole-1-sulfinate

Systemtic Name: (2-methyl-5-nitro-phenyl) 2-chloranylbenzimidazole-1-sulfinate Openeye Name: (2-methyl-5-nitro-phenyl) 2-chlorobenzimidazole-1-sulfinate CAS Name: 2-chloro-1-benzimidazolesulfinic acid (2-methyl-5-nitrophenyl) ester IUPAC Name: (2-methyl-5-nitrophenyl) 2-chlorobenzimidazole-1-sulfinate Traditional Name: 2-chlorobenzimidazole-1-sulfinic acid (2-methyl-5-nitro-phenyl) ester Formula: C14H10ClN3O4S MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OS(=O)N2C3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OS(=O)N2C3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C14H10ClN3O4S/c1-9-6-7-10(18(19)20)8-13(9)22-23(21)17-12-5-3-2-4-11(12)16-14(17)15/h2-8H,1H3