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

Systemtic Name: [2,4-bis(fluoranyl)phenyl] 2-sulfanylideneethanoate; cyclopenta-1,3-diene; titanium(4+) Openeye Name: cyclopenta-1,3-diene; (2,4-difluorophenyl) 2-thioxoacetate; titanium(4+) CAS Name: cyclopenta-1,3-diene; 2-sulfanylideneacetic acid (2,4-difluorophenyl) ester; titanium(4+) IUPAC Name: cyclopenta-1,3-diene; (2,4-difluorophenyl) 2-sulfanylideneacetate; titanium(4+) Traditional Name: cyclopenta-1,3-diene; 2-thioxoacetic acid (2,4-difluorophenyl) ester; titanium(4+) Formula: C26H16F4O4S2Ti MolecularWeight: 580.393453

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=C(C=C1F)F)OC(=O)[C-]=S.C1=CC(=C(C=C1F)F)OC(=O)[C-]=S.[Ti+4]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=C(C=C1F)F)OC(=O)[C-]=S.C1=CC(=C(C=C1F)F)OC(=O)[C-]=S.[Ti+4]

InChI

InChI=1S/2C8H3F2O2S.2C5H5.Ti/c2*9-5-1-2-7(6(10)3-5)12-8(11)4-13;2*1-2-4-5-3-1;/h2*1-3H;2*1-3H,4H2;/q4*-1;+4