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

Systemtic Name: dodecyl 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate Openeye Name: dodecyl 5-(2,4-dichlorophenoxy)-2-nitro-benzoate CAS Name: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid dodecyl ester IUPAC Name: dodecyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate Traditional Name: 5-(2,4-dichlorophenoxy)-2-nitro-benzoic acid lauryl ester Formula: C25H31Cl2NO5 MolecularWeight: 496.42334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-16-32-25(29)21-18-20(13-14-23(21)28(30)31)33-24-15-12-19(26)17-22(24)27/h12-15,17-18H,2-11,16H2,1H3