(4-butylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (4-butylphenyl) ester Formula: C19H18F3NO4S MolecularWeight: 413.41073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3NO4S/c1-2-3-4-13-5-8-15(9-6-13)27-18(24)12-28-17-10-7-14(19(20,21)22)11-16(17)23(25)26/h5-11H,2-4,12H2,1H3