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3-[(2,4-dinitrophenyl)amino]propyl phosphono hydrogen phosphate

3-[(2,4-dinitrophenyl)amino]propyl phosphono hydrogen phosphate

Systemtic Name:3-[(2,4-dinitrophenyl)amino]propyl phosphono hydrogen phosphate
Openeye Name:3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate
CAS Name:3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate
IUPAC Name:3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate
Traditional Name:3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate
Formula: C9H13N3O11P2
MolecularWeight: 401.160542
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H13N3O11P2/c13-11(14)7-2-3-8(9(6-7)12(15)16)10-4-1-5-22-25(20,21)23-24(17,18)19/h2-3,6,10H,1,4-5H2,(H,20,21)(H2,17,18,19)


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