(5-oxidanyl-3-sulfanylidene-pentyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (5-oxidanyl-3-sulfanylidene-pentyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (5-hydroxy-3-thioxo-pentyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (5-hydroxy-3-sulfanylidenepentyl) ester IUPAC Name: (5-hydroxy-3-sulfanylidenepentyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (5-hydroxy-3-thioxo-pentyl) ester Formula: C19H15ClF3NO6S MolecularWeight: 477.83871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=S)CCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCC(=S)CCO

InChI

InChI=1S/C19H15ClF3NO6S/c20-15-9-11(19(21,22)23)1-4-17(15)30-12-2-3-16(24(27)28)14(10-12)18(26)29-8-6-13(31)5-7-25/h1-4,9-10,25H,5-8H2