2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetic acid Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid Formula: C9H6F3NO6S2 MolecularWeight: 345.27225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C9H6F3NO6S2/c10-9(11,12)21(18,19)5-1-2-7(20-4-8(14)15)6(3-5)13(16)17/h1-3H,4H2,(H,14,15)