(5-methyl-2-propan-2-yl-phenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C19H18F3NO4S MolecularWeight: 413.41073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3NO4S/c1-11(2)14-6-4-12(3)8-16(14)27-18(24)10-28-17-7-5-13(19(20,21)22)9-15(17)23(25)26/h4-9,11H,10H2,1-3H3