(2E)-1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]indole hexafluorophosphate

Systemtic Name: (2E)-1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]indole hexafluorophosphate Openeye Name: 1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E,3E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)indolin-2-ylidene]prop-1-enyl]indol-1-ium hexafluorophosphate CAS Name: (2E)-1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)-2-indol-1-iumyl]prop-2-enylidene]indole hexafluorophosphate IUPAC Name: (2E)-1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]indole hexafluorophosphate Traditional Name: 1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E,3E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)indolin-2-ylidene]prop-1-enyl]indol-1-ium hexafluorophosphate Formula: C27H27F12N2P MolecularWeight: 638.471279

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(F)(F)F)[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)C(F)(F)F)(C)C)C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(F)(F)F)[N+](=C1/C=C/C=C/3\C(C4=C(N3C)C=CC(=C4)C(F)(F)F)(C)C)C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C27H27F6N2.F6P/c1-24(2)18-14-16(26(28,29)30)10-12-20(18)34(5)22(24)8-7-9-23-25(3,4)19-15-17(27(31,32)33)11-13-21(19)35(23)6;1-7(2,3,4,5)6/h7-15H,1-6H3;/q+1;-1