[2,4-bis(fluoranyl)phenyl]-ethylsulfonyl-azanide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: [2,4-bis(fluoranyl)phenyl]-ethylsulfonyl-azanide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-ethylsulfonyl-azanide; titanium(4+) CAS Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-ethylsulfonylazanide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-ethylsulfonylazanide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-esyl-azanide; titanium(4+) Formula: C26H26F4N2O4S2Ti MolecularWeight: 618.486253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H8F2NO2S.2C5H5.Ti/c2*1-2-14(12,13)11-8-4-3-6(9)5-7(8)10;2*1-2-4-5-3-1;/h2*3-5H,2H2,1H3;2*1-3H,4H2;/q4*-1;+4