2-methyl-5-nitro-aniline sulfate

Systemtic Name: 2-methyl-5-nitro-aniline sulfate Openeye Name: 2-methyl-5-nitro-aniline sulfate CAS Name: 2-methyl-5-nitroaniline sulfate IUPAC Name: 2-methyl-5-nitroaniline sulfate Traditional Name: (2-methyl-5-nitro-phenyl)amine sulfate Formula: C7H8N2O6S-2 MolecularWeight: 248.21322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C7H8N2O2.H2O4S/c1-5-2-3-6(9(10)11)4-7(5)8;1-5(2,3)4/h2-4H,8H2,1H3;(H2,1,2,3,4)/p-2