2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzenesulfonic acid; 4-methylaniline

Systemtic Name: 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzenesulfonic acid; 4-methylaniline Openeye Name: 2-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]benzenesulfonic acid; 4-methylaniline CAS Name: 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzenesulfonic acid; 4-methylaniline IUPAC Name: 2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzenesulfonic acid; 4-methylaniline Traditional Name: 2-[(E)-[(2,4-dinitrophenyl)hydrazono]methyl]besylic acid; p-toluidine Formula: C20H19N5O7S MolecularWeight: 473.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N.C1=CC=C(C(=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O7S.C7H9N/c18-16(19)10-5-6-11(12(7-10)17(20)21)15-14-8-9-3-1-2-4-13(9)25(22,23)24;1-6-2-4-7(8)5-3-6/h1-8,15H,(H,22,23,24);2-5H,8H2,1H3/b14-8+;