diethyl-[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: diethyl-[2-oxidanylidene-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: diethyl-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: diethyl-[2-oxo-2-[2-(trifluoromethyl)-10-phenothiazinyl]ethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: diethyl-[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: diethyl-[2-keto-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl]ammonium binoxalate Formula: C21H21F3N2O5S MolecularWeight: 470.46205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CC)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H19F3N2OS.C2H2O4/c1-3-23(4-2)12-18(25)24-14-7-5-6-8-16(14)26-17-10-9-13(11-15(17)24)19(20,21)22;3-1(4)2(5)6/h5-11H,3-4,12H2,1-2H3;(H,3,4)(H,5,6)