octan-2-yl 2-nitro-5-[2,4,6-tris(chloranyl)phenoxy]benzoate

Systemtic Name: octan-2-yl 2-nitro-5-[2,4,6-tris(chloranyl)phenoxy]benzoate Openeye Name: 1-methylheptyl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate CAS Name: 2-nitro-5-(2,4,6-trichlorophenoxy)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate Traditional Name: 2-nitro-5-(2,4,6-trichlorophenoxy)benzoic acid 1-methylheptyl ester Formula: C21H22Cl3NO5 MolecularWeight: 474.76208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22Cl3NO5/c1-3-4-5-6-7-13(2)29-21(26)16-12-15(8-9-19(16)25(27)28)30-20-17(23)10-14(22)11-18(20)24/h8-13H,3-7H2,1-2H3