sodium (1Z)-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzenecarboximidate

Systemtic Name: sodium (1Z)-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzenecarboximidate Openeye Name: sodium (1Z)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzenecarboximidate CAS Name: sodium (1Z)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate IUPAC Name: sodium (1Z)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate Traditional Name: sodium (1Z)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitro-benzenecarboximidate Formula: C15H9ClF3N2NaO6S MolecularWeight: 460.74474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)/N=C(/C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])\[O-].[Na+]

InChI

InChI=1S/C15H10ClF3N2O6S.Na/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19;/h2-7H,1H3,(H,20,22);/q;+1/p-1