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

Systemtic Name: [2,4-bis(fluoranyl)phenoxy]carbonylsulfanyl-phenyl-azanide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorophenoxy)carbonylsulfanyl-phenyl-azanide; titanium(4+) CAS Name: cyclopenta-1,3-diene; [[(2,4-difluorophenoxy)-oxomethyl]thio]-phenylazanide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorophenoxy)carbonylsulfanyl-phenylazanide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; [(2,4-difluorophenoxy)carbonylthio]-phenyl-azanide; titanium(4+) Formula: C36H26F4N2O4S2Ti MolecularWeight: 738.593253

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)[N-]SC(=O)OC2=C(C=C(C=C2)F)F.C1=CC=C(C=C1)[N-]SC(=O)OC2=C(C=C(C=C2)F)F.[Ti+4]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)[N-]SC(=O)OC2=C(C=C(C=C2)F)F.C1=CC=C(C=C1)[N-]SC(=O)OC2=C(C=C(C=C2)F)F.[Ti+4]

InChI

InChI=1S/2C13H8F2NO2S.2C5H5.Ti/c2*14-9-6-7-12(11(15)8-9)18-13(17)19-16-10-4-2-1-3-5-10;2*1-2-4-5-3-1;/h2*1-8H;2*1-3H,4H2;/q4*-1;+4