[2,4-bis(fluoranyl)benzene-6-id-1-yl] 2-methylpropanoate; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: [2,4-bis(fluoranyl)benzene-6-id-1-yl] 2-methylpropanoate; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorobenzene-6-id-1-yl) 2-methylpropanoate; titanium(4+) CAS Name: cyclopenta-1,3-diene; 2-methylpropanoic acid (2,4-difluoro-1-benzene-6-idyl) ester; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorobenzene-6-id-1-yl) 2-methylpropanoate; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 2-methylpropionic acid (2,4-difluorobenzene-6-id-1-yl) ester; titanium(4+) Formula: C30H28F4O4Ti MolecularWeight: 576.401533

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C=C(C=[C-]1)F)F.CC(C)C(=O)OC1=C(C=C(C=[C-]1)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC(C)C(=O)OC1=C(C=C(C=[C-]1)F)F.CC(C)C(=O)OC1=C(C=C(C=[C-]1)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C10H9F2O2.2C5H5.Ti/c2*1-6(2)10(13)14-9-4-3-7(11)5-8(9)12;2*1-2-4-5-3-1;/h2*3,5-6H,1-2H3;2*1-3H,4H2;/q4*-1;+4