2-cyclohexylethyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: 2-cyclohexylethyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: 2-cyclohexylethyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid 2-cyclohexylethyl ester IUPAC Name: 2-cyclohexylethyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid 2-cyclohexylethyl ester Formula: C15H17ClN2O6 MolecularWeight: 356.75828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN2O6/c16-14-12(17(20)21)8-11(9-13(14)18(22)23)15(19)24-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2