3-methyl-2,6-dinitro-benzenesulfonic acid

Systemtic Name: 3-methyl-2,6-dinitro-benzenesulfonic acid Openeye Name: 3-methyl-2,6-dinitro-benzenesulfonic acid CAS Name: 3-methyl-2,6-dinitrobenzenesulfonic acid IUPAC Name: 3-methyl-2,6-dinitrobenzenesulfonic acid Traditional Name: 3-methyl-2,6-dinitro-besylic acid Formula: C7H6N2O7S MolecularWeight: 262.19674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O7S/c1-4-2-3-5(8(10)11)7(17(14,15)16)6(4)9(12)13/h2-3H,1H3,(H,14,15,16)