3-(4-methanoyl-2-nitro-phenoxy)pentan-3-ylphosphonic acid

Systemtic Name: 3-(4-methanoyl-2-nitro-phenoxy)pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-(4-formyl-2-nitro-phenoxy)propyl]phosphonic acid CAS Name: 3-(4-formyl-2-nitrophenoxy)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-formyl-2-nitrophenoxy)pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-(4-formyl-2-nitro-phenoxy)propyl]phosphonic acid Formula: C12H16NO7P MolecularWeight: 317.231701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=C(C=C(C=C1)C=O)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=C(C=C(C=C1)C=O)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C12H16NO7P/c1-3-12(4-2,21(17,18)19)20-11-6-5-9(8-14)7-10(11)13(15)16/h5-8H,3-4H2,1-2H3,(H2,17,18,19)