2-methylcyclopenta-1,3-diene; titanium(4+); 1,3,5-tris(fluoranyl)benzene-6-ide

Systemtic Name: 2-methylcyclopenta-1,3-diene; titanium(4+); 1,3,5-tris(fluoranyl)benzene-6-ide Openeye Name: 2-methylcyclopenta-1,3-diene; titanium(4+); 1,3,5-trifluorobenzene-6-ide CAS Name: 2-methylcyclopenta-1,3-diene; titanium(4+); 1,3,5-trifluorobenzene-6-ide IUPAC Name: 2-methylcyclopenta-1,3-diene; titanium(4+); 1,3,5-trifluorobenzene-6-ide Traditional Name: 2-methylcyclopenta-1,3-diene; titanium(4+); 1,3,5-trifluorobenzene-6-ide Formula: C24H18F6Ti MolecularWeight: 468.257139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=C(C=C([C-]=C1F)F)F.C1=C(C=C([C-]=C1F)F)F.[Ti+4]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1=C(C=C([C-]=C1F)F)F.C1=C(C=C([C-]=C1F)F)F.[Ti+4]

InChI

InChI=1S/2C6H2F3.2C6H7.Ti/c2*7-4-1-5(8)3-6(9)2-4;2*1-6-4-2-3-5-6;/h2*1-2H;2*2,4H,3H2,1H3;/q4*-1;+4