(3,5-dimethylphenyl)-dinitro-methanesulfonic acid

Systemtic Name: (3,5-dimethylphenyl)-dinitro-methanesulfonic acid Openeye Name: (3,5-dimethylphenyl)-dinitro-methanesulfonic acid CAS Name: (3,5-dimethylphenyl)-dinitromethanesulfonic acid IUPAC Name: (3,5-dimethylphenyl)-dinitromethanesulfonic acid Traditional Name: (3,5-dimethylphenyl)-dinitro-methanesulfonic acid Formula: C9H10N2O7S MolecularWeight: 290.2499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O7S/c1-6-3-7(2)5-8(4-6)9(10(12)13,11(14)15)19(16,17)18/h3-5H,1-2H3,(H,16,17,18)