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

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-N-(3-ethylheptyl)-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-(3-ethylheptyl)-2,2-dimethyl-pentanamide; titanium(4+) CAS Name: cyclopenta-1,3-diene; N-(2,4-difluoro-1-benzene-3-idyl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-(3-ethylheptyl)-2,2-dimethylpentanamide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-(3-ethylheptyl)-2,2-dimethyl-valeramide; titanium(4+) Formula: C54H78F4N2O2Ti MolecularWeight: 911.069933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CCN(C1=C([C-]=C(C=C1)F)F)C(=O)C(C)(C)CCC.CCCCC(CC)CCN(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

CCCCC(CC)CCN(C1=C([C-]=C(C=C1)F)F)C(=O)C(C)(C)CCC.CCCCC(CC)CCN(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/2C22H34F2NO.2C5H5.Ti/c2*1-6-9-10-17(8-3)13-15-25(21(26)22(4,5)14-7-2)20-12-11-18(23)16-19(20)24;2*1-2-4-5-3-1;/h2*11-12,17H,6-10,13-15H2,1-5H3;2*1-3H,4H2;/q4*-1;+4