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

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-2,4,6-trimethyl-benzamide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-2,4,6-trimethyl-benzamide; titanium(4+) CAS Name: cyclopenta-1,3-diene; N-(2,4-difluoro-1-benzene-3-idyl)-2,4,6-trimethylbenzamide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-2,4,6-trimethylbenzamide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-2,4,6-trimethyl-benzamide; titanium(4+) Formula: C42H38F4N2O2Ti MolecularWeight: 726.623933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)NC2=C([C-]=C(C=C2)F)F)C.CC1=CC(=C(C(=C1)C)C(=O)NC2=C([C-]=C(C=C2)F)F)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)NC2=C([C-]=C(C=C2)F)F)C.CC1=CC(=C(C(=C1)C)C(=O)NC2=C([C-]=C(C=C2)F)F)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C16H14F2NO.2C5H5.Ti/c2*1-9-6-10(2)15(11(3)7-9)16(20)19-14-5-4-12(17)8-13(14)18;2*1-2-4-5-3-1;/h2*4-7H,1-3H3,(H,19,20);2*1-3H,4H2;/q4*-1;+4