1-butoxy-2,4-bis(fluoranyl)benzene-3-ide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: 1-butoxy-2,4-bis(fluoranyl)benzene-3-ide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: 1-butoxy-2,4-difluoro-benzene-3-ide; cyclopenta-1,3-diene; titanium(4+) CAS Name: 1-butoxy-2,4-difluorobenzene-3-ide; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: 1-butoxy-2,4-difluorobenzene-3-ide; cyclopenta-1,3-diene; titanium(4+) Traditional Name: 1-butoxy-2,4-difluoro-benzene-3-ide; cyclopenta-1,3-diene; titanium(4+) Formula: C30H32F4O2Ti MolecularWeight: 548.434493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C([C-]=C(C=C1)F)F.CCCCOC1=C([C-]=C(C=C1)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CCCCOC1=C([C-]=C(C=C1)F)F.CCCCOC1=C([C-]=C(C=C1)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C10H11F2O.2C5H5.Ti/c2*1-2-3-6-13-10-5-4-8(11)7-9(10)12;2*1-2-4-5-3-1;/h2*4-5H,2-3,6H2,1H3;2*1-3H,4H2;/q4*-1;+4