(4-nitrophenyl)methyl-(5-oxidanyl-5-oxidanylidene-pentyl)-(phosphonomethyl)azanium

Systemtic Name: (4-nitrophenyl)methyl-(5-oxidanyl-5-oxidanylidene-pentyl)-(phosphonomethyl)azanium Openeye Name: (5-hydroxy-5-oxo-pentyl)-[(4-nitrophenyl)methyl]-(phosphonomethyl)ammonium CAS Name: (5-hydroxy-5-oxopentyl)-[(4-nitrophenyl)methyl]-(phosphonomethyl)ammonium IUPAC Name: (5-hydroxy-5-oxopentyl)-[(4-nitrophenyl)methyl]-(phosphonomethyl)azanium Traditional Name: (5-hydroxy-5-keto-pentyl)-(4-nitrobenzyl)-(phosphonomethyl)ammonium Formula: C13H20N2O7P+ MolecularWeight: 347.280861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH+](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH+](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N2O7P/c16-13(17)3-1-2-8-14(10-23(20,21)22)9-11-4-6-12(7-5-11)15(18)19/h4-7H,1-3,8-10H2,(H,16,17)(H2,20,21,22)/p+1