2-[(2,4-dinitrophenyl)amino]-5-methyl-benzenesulfonic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-5-methyl-benzenesulfonic acid Openeye Name: 2-(2,4-dinitroanilino)-5-methyl-benzenesulfonic acid CAS Name: 2-(2,4-dinitroanilino)-5-methylbenzenesulfonic acid IUPAC Name: 2-(2,4-dinitroanilino)-5-methylbenzenesulfonic acid Traditional Name: 2-(2,4-dinitroanilino)-5-methyl-besylic acid Formula: C13H11N3O7S MolecularWeight: 353.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H11N3O7S/c1-8-2-4-11(13(6-8)24(21,22)23)14-10-5-3-9(15(17)18)7-12(10)16(19)20/h2-7,14H,1H3,(H,21,22,23)