[4-[(2,4-dinitrophenyl)amino]butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [4-[(2,4-dinitrophenyl)amino]butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(2,4-dinitroanilino)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [4-(2,4-dinitroanilino)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [4-(2,4-dinitroanilino)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [4-(2,4-dinitroanilino)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H16N3O14P3 MolecularWeight: 495.167023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C10H16N3O14P3/c14-12(15)8-3-4-9(10(7-8)13(16)17)11-5-1-2-6-25-29(21,22)27-30(23,24)26-28(18,19)20/h3-4,7,11H,1-2,5-6H2,(H,21,22)(H,23,24)(H2,18,19,20)