(4-methoxy-4-oxidanylidene-butyl) 2-nitro-5-[2,4,6-tris(chloranyl)phenoxy]benzoate

Systemtic Name: (4-methoxy-4-oxidanylidene-butyl) 2-nitro-5-[2,4,6-tris(chloranyl)phenoxy]benzoate Openeye Name: (4-methoxy-4-oxo-butyl) 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate CAS Name: 2-nitro-5-(2,4,6-trichlorophenoxy)benzoic acid (4-methoxy-4-oxobutyl) ester IUPAC Name: (4-methoxy-4-oxobutyl) 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate Traditional Name: 2-nitro-5-(2,4,6-trichlorophenoxy)benzoic acid (4-keto-4-methoxy-butyl) ester Formula: C18H14Cl3NO7 MolecularWeight: 462.66526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14Cl3NO7/c1-27-16(23)3-2-6-28-18(24)12-9-11(4-5-15(12)22(25)26)29-17-13(20)7-10(19)8-14(17)21/h4-5,7-9H,2-3,6H2,1H3