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

Systemtic Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]benzoic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]benzoic acid Formula: C14H8F3NO6S2 MolecularWeight: 407.34163

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H8F3NO6S2/c15-14(16,17)26(23,24)8-5-6-12(10(7-8)18(21)22)25-11-4-2-1-3-9(11)13(19)20/h1-7H,(H,19,20)