4-chloranyl-2-methyl-3,5-dinitro-benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-methyl-3,5-dinitro-benzenesulfonic acid Openeye Name: 4-chloro-2-methyl-3,5-dinitro-benzenesulfonic acid CAS Name: 4-chloro-2-methyl-3,5-dinitrobenzenesulfonic acid IUPAC Name: 4-chloro-2-methyl-3,5-dinitrobenzenesulfonic acid Traditional Name: 4-chloro-2-methyl-3,5-dinitro-besylic acid Formula: C7H5ClN2O7S MolecularWeight: 296.6418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5ClN2O7S/c1-3-5(18(15,16)17)2-4(9(11)12)6(8)7(3)10(13)14/h2H,1H3,(H,15,16,17)