[3-(trifluoromethyl)phenyl] 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl] 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: [3-(trifluoromethyl)phenyl] 3-nitro-4-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 3-nitro-4-(2-oxolanylmethylthio)benzoic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 3-nitro-4-(tetrahydrofurfurylthio)benzoic acid [3-(trifluoromethyl)phenyl] ester Formula: C19H16F3NO5S MolecularWeight: 427.39425

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3NO5S/c20-19(21,22)13-3-1-4-14(10-13)28-18(24)12-6-7-17(16(9-12)23(25)26)29-11-15-5-2-8-27-15/h1,3-4,6-7,9-10,15H,2,5,8,11H2