[dinitro-[(5-sulfamoylnaphthalen-1-yl)amino]methyl]phosphonic acid

Systemtic Name: [dinitro-[(5-sulfamoylnaphthalen-1-yl)amino]methyl]phosphonic acid Openeye Name: [dinitro-[(5-sulfamoyl-1-naphthyl)amino]methyl]phosphonic acid CAS Name: [dinitro-[(5-sulfamoyl-1-naphthalenyl)amino]methyl]phosphonic acid IUPAC Name: [dinitro-[(5-sulfamoylnaphthalen-1-yl)amino]methyl]phosphonic acid Traditional Name: [dinitro-[(5-sulfamoyl-1-naphthyl)amino]methyl]phosphonic acid Formula: C11H11N4O9PS MolecularWeight: 406.265201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)N)C(=C1)NC([N+](=O)[O-])([N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)N)C(=C1)NC([N+](=O)[O-])([N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C11H11N4O9PS/c12-26(23,24)10-6-2-3-7-8(10)4-1-5-9(7)13-11(14(16)17,15(18)19)25(20,21)22/h1-6,13H,(H2,12,23,24)(H2,20,21,22)