(2,4-dinitrophenyl) 4-[(2,4-dinitrophenyl)sulfamoyl]thiophene-2-sulfonate

Systemtic Name: (2,4-dinitrophenyl) 4-[(2,4-dinitrophenyl)sulfamoyl]thiophene-2-sulfonate Openeye Name: (2,4-dinitrophenyl) 4-[(2,4-dinitrophenyl)sulfamoyl]thiophene-2-sulfonate CAS Name: 4-[(2,4-dinitrophenyl)sulfamoyl]-2-thiophenesulfonic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) 4-[(2,4-dinitrophenyl)sulfamoyl]thiophene-2-sulfonate Traditional Name: 4-[(2,4-dinitrophenyl)sulfamoyl]thiophene-2-sulfonic acid (2,4-dinitrophenyl) ester Formula: C16H9N5O13S3 MolecularWeight: 575.46336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NS(=O)(=O)C2=CSC(=C2)S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NS(=O)(=O)C2=CSC(=C2)S(=O)(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O13S3/c22-18(23)9-1-3-12(13(5-9)20(26)27)17-36(30,31)11-7-16(35-8-11)37(32,33)34-15-4-2-10(19(24)25)6-14(15)21(28)29/h1-8,17H