octyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate

Systemtic Name: octyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: octyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid octyl ester IUPAC Name: octyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid octyl ester Formula: C21H23Cl2NO5 MolecularWeight: 440.31702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23Cl2NO5/c1-2-3-4-5-6-7-12-28-21(25)17-14-16(9-10-19(17)24(26)27)29-20-11-8-15(22)13-18(20)23/h8-11,13-14H,2-7,12H2,1H3