2,4-dimethyl-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 2,4-dimethyl-3,5-dinitro-benzenesulfonic acid Openeye Name: 2,4-dimethyl-3,5-dinitro-benzenesulfonic acid CAS Name: 2,4-dimethyl-3,5-dinitrobenzenesulfonic acid IUPAC Name: 2,4-dimethyl-3,5-dinitrobenzenesulfonic acid Traditional Name: 2,4-dimethyl-3,5-dinitro-besylic acid Formula: C8H8N2O7S MolecularWeight: 276.22332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N2O7S/c1-4-6(9(11)12)3-7(18(15,16)17)5(2)8(4)10(13)14/h3H,1-2H3,(H,15,16,17)