[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-methylsulfonyl-amino]-ethyl-oxidanylidene-phosphanium

Systemtic Name: [[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-methylsulfonyl-amino]-ethyl-oxidanylidene-phosphanium Openeye Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-anilino]-ethyl-oxo-phosphonium CAS Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitroanilino]-ethyl-oxophosphonium IUPAC Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitroanilino]-ethyl-oxophosphanium Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-mesyl-2-nitro-anilino]-ethyl-keto-phosphonium Formula: C16H14ClF3N2O6PS+ MolecularWeight: 485.779131

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Descriptors Computed from Structure

Canonical SMILES:

CC[P+](=O)N(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC[P+](=O)N(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H14ClF3N2O6PS/c1-3-29(25)22(30(2,26)27)14-9-11(5-6-13(14)21(23)24)28-15-7-4-10(8-12(15)17)16(18,19)20/h4-9H,3H2,1-2H3/q+1