[2,4,5-tris(chloranyl)phenyl] 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate Openeye Name: (2,4,5-trichlorophenyl) 4-[4-(hydroxymethyl)-2-methoxy-5-nitro-phenoxy]butanoate CAS Name: 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) 4-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanoate Traditional Name: 4-(2-methoxy-4-methylol-5-nitro-phenoxy)butyric acid (2,4,5-trichlorophenyl) ester Formula: C18H16Cl3NO7 MolecularWeight: 464.68114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCCCC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OCCCC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C18H16Cl3NO7/c1-27-16-5-10(9-23)14(22(25)26)8-17(16)28-4-2-3-18(24)29-15-7-12(20)11(19)6-13(15)21/h5-8,23H,2-4,9H2,1H3