4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzenesulfinic acid

Systemtic Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzenesulfinic acid Openeye Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzenesulfinic acid CAS Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzenesulfinic acid IUPAC Name: 4-[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzenesulfinic acid Traditional Name: 4-(2-nitro-4-triflyl-phenoxy)benzenesulfinic acid Formula: C13H8F3NO7S2 MolecularWeight: 411.33033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)O

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)O

InChI

InChI=1S/C13H8F3NO7S2/c14-13(15,16)26(22,23)10-5-6-12(11(7-10)17(18)19)24-8-1-3-9(4-2-8)25(20)21/h1-7H,(H,20,21)