2-chloranylethanenitrile; cyclopenta-1,3-diene; titanium(4+); ditetrafluoroborate

Systemtic Name: 2-chloranylethanenitrile; cyclopenta-1,3-diene; titanium(4+); ditetrafluoroborate Openeye Name: 2-chloroacetonitrile; cyclopenta-1,3-diene; titanium(4+); ditetrafluoroborate CAS Name: 2-chloroacetonitrile; cyclopenta-1,3-diene; titanium(4+); ditetrafluoroborate IUPAC Name: 2-chloroacetonitrile; cyclopenta-1,3-diene; titanium(4+); ditetrafluoroborate Traditional Name: 2-chloroacetonitrile; cyclopenta-1,3-diene; titanium(4+); ditetrafluoroborate Formula: C12H12B2ClF8NTi MolecularWeight: 427.159606

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.C(C#N)Cl.[Ti+4]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1C=CC=[C-]1.C1C=CC=[C-]1.C(C#N)Cl.[Ti+4]

InChI

InChI=1S/2C5H5.C2H2ClN.2BF4.Ti/c2*1-2-4-5-3-1;3-1-2-4;2*2-1(3,4)5;/h2*1-3H,4H2;1H2;;;/q2*-1;;2*-1;+4