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

Systemtic Name: 3-(4-ethenyl-2-nitro-phenoxy)pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-(2-nitro-4-vinyl-phenoxy)propyl]phosphonic acid CAS Name: 3-(4-ethenyl-2-nitrophenoxy)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-ethenyl-2-nitrophenoxy)pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-(2-nitro-4-vinyl-phenoxy)propyl]phosphonic acid Formula: C13H18NO6P MolecularWeight: 315.258881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO6P/c1-4-10-7-8-12(11(9-10)14(15)16)20-13(5-2,6-3)21(17,18)19/h4,7-9H,1,5-6H2,2-3H3,(H2,17,18,19)