2-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[3-(trifluoromethyl)phenyl]sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[1-oxo-2-[[3-(trifluoromethyl)phenyl]thio]ethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[[3-(trifluoromethyl)phenyl]thio]acetyl]amino]terephthalic acid Formula: C17H12F3NO5S MolecularWeight: 399.34109

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H12F3NO5S/c18-17(19,20)10-2-1-3-11(7-10)27-8-14(22)21-13-6-9(15(23)24)4-5-12(13)16(25)26/h1-7H,8H2,(H,21,22)(H,23,24)(H,25,26)