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

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-N-ethyl-2,2-dimethyl-butanamide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2,2-dimethyl-butanamide; titanium(4+) CAS Name: cyclopenta-1,3-diene; N-(2,4-difluoro-1-benzene-3-idyl)-N-ethyl-2,2-dimethylbutanamide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2,2-dimethylbutanamide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-N-ethyl-2,2-dimethyl-butyramide; titanium(4+) Formula: C38H46F4N2O2Ti MolecularWeight: 686.644653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H18F2NO.2C5H5.Ti/c2*1-5-14(3,4)13(18)17(6-2)12-8-7-10(15)9-11(12)16;2*1-2-4-5-3-1;/h2*7-8H,5-6H2,1-4H3;2*1-3H,4H2;/q4*-1;+4