5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; dicyclohexylazanium

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; dicyclohexylazanium Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; dicyclohexylammonium CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; dicyclohexylammonium IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; dicyclohexylazanium Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; dicyclohexylammonium Formula: C26H30ClF3N2O5 MolecularWeight: 542.97501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H7ClF3NO5.C12H23N/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-6H,(H,20,21);11-13H,1-10H2