2-[(6E)-2-[(E)-2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]carbonyloxyethyl-ethyl-amino]phenyl]ethenyl]-6-[(E)-3-[4-cyano-5-(dicyanomethylidene)-2-phenyl-2-(trifluoromethyl)furan-3-yl]prop-2-enylidene]-4,4-dimethyl-cyclohexen-1-yl]ethyl 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: 2-[(6E)-2-[(E)-2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]carbonyloxyethyl-ethyl-amino]phenyl]ethenyl]-6-[(E)-3-[4-cyano-5-(dicyanomethylidene)-2-phenyl-2-(trifluoromethyl)furan-3-yl]prop-2-enylidene]-4,4-dimethyl-cyclohexen-1-yl]ethyl 3,5-bis(trifluoromethyl)benzoate Openeye Name: 2-[(6E)-2-[(E)-2-[4-[2-[3,5-bis(trifluoromethyl)benzoyl]oxyethyl-ethyl-amino]phenyl]vinyl]-6-[(E)-3-[4-cyano-5-(dicyanomethylene)-2-phenyl-2-(trifluoromethyl)-3-furyl]prop-2-enylidene]-4,4-dimethyl-cyclohexen-1-yl]ethyl 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid 2-[(6E)-2-[(E)-2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]-oxomethoxy]ethyl-ethylamino]phenyl]ethenyl]-6-[(E)-3-[4-cyano-5-(dicyanomethylidene)-2-phenyl-2-(trifluoromethyl)-3-furanyl]prop-2-enylidene]-4,4-dimethyl-1-cyclohexenyl]ethyl ester IUPAC Name: 2-[(6E)-2-[(E)-2-[4-[2-[3,5-bis(trifluoromethyl)benzoyl]oxyethyl-ethylamino]phenyl]ethenyl]-6-[(E)-3-[4-cyano-5-(dicyanomethylidene)-2-phenyl-2-(trifluoromethyl)furan-3-yl]prop-2-enylidene]-4,4-dimethylcyclohexen-1-yl]ethyl 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid 2-[(6E)-2-[(E)-2-[4-[2-[3,5-bis(trifluoromethyl)benzoyl]oxyethyl-ethyl-amino]phenyl]vinyl]-6-[(E)-3-[4-cyano-5-(dicyanomethylene)-2-phenyl-2-(trifluoromethyl)-3-furyl]prop-2-enylidene]-4,4-dimethyl-cyclohexen-1-yl]ethyl ester Formula: C58H43F15N4O5 MolecularWeight: 1160.961868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC=C(C=C2)C=CC3=C(C(=CC=CC4=C(C(=C(C#N)C#N)OC4(C5=CC=CC=C5)C(F)(F)F)C#N)CC(C3)(C)C)CCOC(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCN(CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC=C(C=C2)/C=C/C3=C(/C(=C/C=C/C4=C(C(=C(C#N)C#N)OC4(C5=CC=CC=C5)C(F)(F)F)C#N)/CC(C3)(C)C)CCOC(=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C58H43F15N4O5/c1-4-77(20-22-81-51(79)38-25-43(56(65,66)67)28-44(26-38)57(68,69)70)45-17-14-34(15-18-45)13-16-36-30-52(2,3)29-35(46(36)19-21-80-50(78)37-23-41(54(59,60)61)27-42(24-37)55(62,63)64)9-8-12-48-47(33-76)49(39(31-74)32-75)82-53(48,58(71,72)73)40-10-6-5-7-11-40/h5-18,23-28H,4,19-22,29-30H2,1-3H3/b12-8+,16-13+,35-9+