dodecyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: dodecyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: dodecyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid lauryl ester Formula: C19H27ClN2O6 MolecularWeight: 414.88048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O6/c1-2-3-4-5-6-7-8-9-10-11-12-28-19(23)15-13-16(21(24)25)18(20)17(14-15)22(26)27/h13-14H,2-12H2,1H3