N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-N-hexyl-2,2-dimethyl-pentanamide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-N-hexyl-2,2-dimethyl-pentanamide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-hexyl-2,2-dimethyl-pentanamide; titanium(4+) CAS Name: cyclopenta-1,3-diene; N-(2,4-difluoro-1-benzene-3-idyl)-N-hexyl-2,2-dimethylpentanamide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-hexyl-2,2-dimethylpentanamide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-hexyl-2,2-dimethyl-valeramide; titanium(4+) Formula: C48H66F4N2O2Ti MolecularWeight: 826.910453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H28F2NO.2C5H5.Ti/c2*1-5-7-8-9-13-22(18(23)19(3,4)12-6-2)17-11-10-15(20)14-16(17)21;2*1-2-4-5-3-1;/h2*10-11H,5-9,12-13H2,1-4H3;2*1-3H,4H2;/q4*-1;+4