1-methyl-4-nitro-5-(2,4,6-trimethylphenyl)sulfonyl-imidazole

Systemtic Name: 1-methyl-4-nitro-5-(2,4,6-trimethylphenyl)sulfonyl-imidazole Openeye Name: 1-methyl-4-nitro-5-(2,4,6-trimethylphenyl)sulfonyl-imidazole CAS Name: 1-methyl-4-nitro-5-(2,4,6-trimethylphenyl)sulfonylimidazole IUPAC Name: 1-methyl-4-nitro-5-(2,4,6-trimethylphenyl)sulfonylimidazole Traditional Name: 5-mesitylsulfonyl-1-methyl-4-nitro-imidazole Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)C2=C(N=CN2C)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O4S/c1-8-5-9(2)11(10(3)6-8)21(19,20)13-12(16(17)18)14-7-15(13)4/h5-7H,1-4H3