cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid cyclohexyl ester Formula: C15H16F3NO4S MolecularWeight: 363.35205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H16F3NO4S/c16-15(17,18)10-6-7-13(12(8-10)19(21)22)24-9-14(20)23-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2