[2,3-dinitro-1-[(5-sulfamoylnaphthalen-1-yl)amino]propyl]phosphonic acid

Systemtic Name: [2,3-dinitro-1-[(5-sulfamoylnaphthalen-1-yl)amino]propyl]phosphonic acid Openeye Name: [2,3-dinitro-1-[(5-sulfamoyl-1-naphthyl)amino]propyl]phosphonic acid CAS Name: [2,3-dinitro-1-[(5-sulfamoyl-1-naphthalenyl)amino]propyl]phosphonic acid IUPAC Name: [2,3-dinitro-1-[(5-sulfamoylnaphthalen-1-yl)amino]propyl]phosphonic acid Traditional Name: [2,3-dinitro-1-[(5-sulfamoyl-1-naphthyl)amino]propyl]phosphonic acid Formula: C13H15N4O9PS MolecularWeight: 434.318361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N4O9PS/c14-28(25,26)12-6-2-3-8-9(12)4-1-5-10(8)15-13(27(22,23)24)11(17(20)21)7-16(18)19/h1-6,11,13,15H,7H2,(H2,14,25,26)(H2,22,23,24)