thiolan-3-ylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: thiolan-3-ylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: tetrahydrothiophen-3-ylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 3-thiolanylmethyl ester IUPAC Name: thiolan-3-ylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid tetrahydrothiophen-3-ylmethyl ester Formula: C19H15ClF3NO5S MolecularWeight: 461.83931

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC1COC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CSCC1COC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClF3NO5S/c20-15-7-12(19(21,22)23)1-4-17(15)29-13-2-3-16(24(26)27)14(8-13)18(25)28-9-11-5-6-30-10-11/h1-4,7-8,11H,5-6,9-10H2