2-(2,4-dinitrophenyl)-4-methyl-benzenesulfonic acid

Systemtic Name: 2-(2,4-dinitrophenyl)-4-methyl-benzenesulfonic acid Openeye Name: 2-(2,4-dinitrophenyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2,4-dinitrophenyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2,4-dinitrophenyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2,4-dinitrophenyl)-4-methyl-besylic acid Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O7S/c1-8-2-5-13(23(20,21)22)11(6-8)10-4-3-9(14(16)17)7-12(10)15(18)19/h2-7H,1H3,(H,20,21,22)