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

Systemtic Name: [2,4-bis(fluoranyl)phenyl]-naphthalen-2-ylsulfonyl-azanide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-(2-naphthylsulfonyl)azanide; titanium(4+) CAS Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-(2-naphthalenylsulfonyl)azanide; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-naphthalen-2-ylsulfonylazanide; titanium(4+) Traditional Name: cyclopenta-1,3-diene; (2,4-difluorophenyl)-(2-naphthylsulfonyl)azanide; titanium(4+) Formula: C42H30F4N2O4S2Ti MolecularWeight: 814.689213

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[N-]C3=C(C=C(C=C3)F)F.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[N-]C3=C(C=C(C=C3)F)F.[Ti+4]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[N-]C3=C(C=C(C=C3)F)F.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[N-]C3=C(C=C(C=C3)F)F.[Ti+4]

InChI

InChI=1S/2C16H10F2NO2S.2C5H5.Ti/c2*17-13-6-8-16(15(18)10-13)19-22(20,21)14-7-5-11-3-1-2-4-12(11)9-14;2*1-2-4-5-3-1;/h2*1-10H;2*1-3H,4H2;/q4*-1;+4