N-[2,4-bis(fluoranyl)phenyl]-2-methyl-butanimidate; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-methyl-butanimidate; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; N-(2,4-difluorophenyl)-2-methyl-butanimidate; titanium(4+) CAS Name: cyclopenta-1,3-diene; N-(2,4-difluorophenyl)-2-methylbutanimidate; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; N-(2,4-difluorophenyl)-2-methylbutanimidate; titanium(4+) Traditional Name: cyclopenta-1,3-diene; N-(2,4-difluorophenyl)-2-methyl-butyrimidate; titanium(4+) Formula: C32H34F4N2O2Ti MolecularWeight: 602.485173

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=NC1=C(C=C(C=C1)F)F)[O-].CCC(C)C(=NC1=C(C=C(C=C1)F)F)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CCC(C)C(=NC1=C(C=C(C=C1)F)F)[O-].CCC(C)C(=NC1=C(C=C(C=C1)F)F)[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C11H13F2NO.2C5H5.Ti/c2*1-3-7(2)11(15)14-10-5-4-8(12)6-9(10)13;2*1-2-4-5-3-1;/h2*4-7H,3H2,1-2H3,(H,14,15);2*1-3H,4H2;/q;;2*-1;+4/p-2