3-(2,3-diethyl-4-nitro-phenyl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(2,3-diethyl-4-nitro-phenyl)pentan-3-ylphosphonic acid Openeye Name: [1-(2,3-diethyl-4-nitro-phenyl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(2,3-diethyl-4-nitrophenyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(2,3-diethyl-4-nitrophenyl)pentan-3-ylphosphonic acid Traditional Name: [1-(2,3-diethyl-4-nitro-phenyl)-1-ethyl-propyl]phosphonic acid Formula: C15H24NO5P MolecularWeight: 329.328521

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)[N+](=O)[O-])C(CC)(CC)P(=O)(O)O

Isomeric SMILES

CCC1=C(C=CC(=C1CC)[N+](=O)[O-])C(CC)(CC)P(=O)(O)O

InChI

InChI=1S/C15H24NO5P/c1-5-11-12(6-2)14(16(17)18)10-9-13(11)15(7-3,8-4)22(19,20)21/h9-10H,5-8H2,1-4H3,(H2,19,20,21)