2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]benzoic acid IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]benzoic acid Formula: C14H7F3N2O6S MolecularWeight: 388.27539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H7F3N2O6S/c15-14(16,17)7-5-9(18(22)23)12(10(6-7)19(24)25)26-11-4-2-1-3-8(11)13(20)21/h1-6H,(H,20,21)