[[(2,4-dinitro-5-sulfamoyl-naphthalen-1-yl)amino]-phenyl-methyl]phosphonic acid

Systemtic Name: [[(2,4-dinitro-5-sulfamoyl-naphthalen-1-yl)amino]-phenyl-methyl]phosphonic acid Openeye Name: [[(2,4-dinitro-5-sulfamoyl-1-naphthyl)amino]-phenyl-methyl]phosphonic acid CAS Name: [[(2,4-dinitro-5-sulfamoyl-1-naphthalenyl)amino]-phenylmethyl]phosphonic acid IUPAC Name: [[(2,4-dinitro-5-sulfamoylnaphthalen-1-yl)amino]-phenylmethyl]phosphonic acid Traditional Name: [[(2,4-dinitro-5-sulfamoyl-1-naphthyl)amino]-phenyl-methyl]phosphonic acid Formula: C17H15N4O9PS MolecularWeight: 482.361161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=C(C=C(C3=C2C=CC=C3S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=C(C=C(C3=C2C=CC=C3S(=O)(=O)N)[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C17H15N4O9PS/c18-32(29,30)14-8-4-7-11-15(14)12(20(22)23)9-13(21(24)25)16(11)19-17(31(26,27)28)10-5-2-1-3-6-10/h1-9,17,19H,(H2,18,29,30)(H2,26,27,28)