2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]terephthalic acid Openeye Name: 2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]terephthalic acid CAS Name: 2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]terephthalic acid Traditional Name: 2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]terephthalic acid Formula: C17H11F3N2O7S MolecularWeight: 444.33865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H11F3N2O7S/c18-17(19,20)9-2-4-13(12(6-9)22(28)29)30-7-14(23)21-11-5-8(15(24)25)1-3-10(11)16(26)27/h1-6H,7H2,(H,21,23)(H,24,25)(H,26,27)