N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-2-(7-methoxy-3,7-dimethyl-octyl)benzamide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: N-[2,4-bis(fluoranyl)benzene-3-id-1-yl]-2-(7-methoxy-3,7-dimethyl-octyl)benzamide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-2-(7-methoxy-3,7-dimethyl-octyl)benzamide; titanium(4+) CAS Name: cyclopenta-1,3-diene; N-(2,4-difluoro-1-benzene-3-idyl)-2-(7-methoxy-3,7-dimethyloctyl)benzamide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-2-(7-methoxy-3,7-dimethyloctyl)benzamide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; N-(2,4-difluorobenzene-3-id-1-yl)-2-(7-methoxy-3,7-dimethyl-octyl)benzamide; titanium(4+) Formula: C58H70F4N2O4Ti MolecularWeight: 983.048013

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)OC)CCC1=CC=CC=C1C(=O)NC2=C([C-]=C(C=C2)F)F.CC(CCCC(C)(C)OC)CCC1=CC=CC=C1C(=O)NC2=C([C-]=C(C=C2)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC(CCCC(C)(C)OC)CCC1=CC=CC=C1C(=O)NC2=C([C-]=C(C=C2)F)F.CC(CCCC(C)(C)OC)CCC1=CC=CC=C1C(=O)NC2=C([C-]=C(C=C2)F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C24H30F2NO2.2C5H5.Ti/c2*1-17(8-7-15-24(2,3)29-4)11-12-18-9-5-6-10-20(18)23(28)27-22-14-13-19(25)16-21(22)26;2*1-2-4-5-3-1;/h2*5-6,9-10,13-14,17H,7-8,11-12,15H2,1-4H3,(H,27,28);2*1-3H,4H2;/q4*-1;+4