2-[(4-methylphenyl)amino]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(4-methylphenyl)amino]-5-nitro-benzenesulfonic acid Openeye Name: 2-(4-methylanilino)-5-nitro-benzenesulfonic acid CAS Name: 2-(4-methylanilino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(4-methylanilino)-5-nitrobenzenesulfonic acid Traditional Name: 5-nitro-2-(p-toluidino)besylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c1-9-2-4-10(5-3-9)14-12-7-6-11(15(16)17)8-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)