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

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoic acid Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetic acid CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetic acid Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid Formula: C9H6F3NO4S MolecularWeight: 281.20845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C9H6F3NO4S/c10-9(11,12)5-1-2-7(18-4-8(14)15)6(3-5)13(16)17/h1-3H,4H2,(H,14,15)