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

Systemtic Name: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid (4-butylphenyl) ester Formula: C19H18F3NO6S2 MolecularWeight: 477.47453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3NO6S2/c1-2-3-4-13-5-7-14(8-6-13)29-18(24)12-30-17-10-9-15(11-16(17)23(25)26)31(27,28)19(20,21)22/h5-11H,2-4,12H2,1H3