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

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-N-butyl-3-chloranyl-2,2-dimethyl-propanamide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: N-butyl-3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethyl-propanamide; cyclopenta-1,3-diene; titanium(4+) CAS Name: N-butyl-3-chloro-N-(2,4-difluoro-1-benzene-3-idyl)-2,2-dimethylpropanamide; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: N-butyl-3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethylpropanamide; cyclopenta-1,3-diene; titanium(4+) Traditional Name: N-butyl-3-chloro-N-(2,4-difluorobenzene-3-id-1-yl)-2,2-dimethyl-propionamide; cyclopenta-1,3-diene; titanium(4+) Formula: C40H48Cl2F4N2O2Ti MolecularWeight: 783.587933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H19ClF2NO.2C5H5.Ti/c2*1-4-5-8-19(14(20)15(2,3)10-16)13-7-6-11(17)9-12(13)18;2*1-2-4-5-3-1;/h2*6-7H,4-5,8,10H2,1-3H3;2*1-3H,4H2;/q4*-1;+4