5-methyl-2,4-dinitro-benzenesulfonic acid

Systemtic Name: 5-methyl-2,4-dinitro-benzenesulfonic acid Openeye Name: 5-methyl-2,4-dinitro-benzenesulfonic acid CAS Name: 5-methyl-2,4-dinitrobenzenesulfonic acid IUPAC Name: 5-methyl-2,4-dinitrobenzenesulfonic acid Traditional Name: 5-methyl-2,4-dinitro-besylic acid Formula: C7H6N2O7S MolecularWeight: 262.19674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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