4-methyl-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-methyl-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-methyl-3,5-dinitro-benzenesulfonic acid CAS Name: 4-methyl-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-methyl-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-methyl-3,5-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/c1-4-6(8(10)11)2-5(17(14,15)16)3-7(4)9(12)13/h2-3H,1H3,(H,14,15,16)