(3-oxidanylidene-5-sulfanylidene-pentan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (3-oxidanylidene-5-sulfanylidene-pentan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (1-methyl-2-oxo-4-thioxo-butyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (3-oxo-5-sulfanylidenepentan-2-yl) ester IUPAC Name: (3-oxo-5-sulfanylidenepentan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (2-keto-1-methyl-4-thioxo-butyl) ester Formula: C19H13ClF3NO6S MolecularWeight: 475.82283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClF3NO6S/c1-10(16(25)6-7-31)29-18(26)13-9-12(3-4-15(13)24(27)28)30-17-5-2-11(8-14(17)20)19(21,22)23/h2-5,7-10H,6H2,1H3