4-chloranyl-6-(2-ethylhexoxy)-5H-pyrimidin-5-ide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: 4-chloranyl-6-(2-ethylhexoxy)-5H-pyrimidin-5-ide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: 4-chloro-6-(2-ethylhexoxy)-5H-pyrimidin-5-ide; cyclopenta-1,3-diene; titanium(4+) CAS Name: 4-chloro-6-(2-ethylhexoxy)-5H-pyrimidin-5-ide; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: 4-chloro-6-(2-ethylhexoxy)-5H-pyrimidin-5-ide; cyclopenta-1,3-diene; titanium(4+) Traditional Name: 4-chloro-6-(2-ethylhexoxy)-5H-pyrimidin-5-ide; cyclopenta-1,3-diene; titanium(4+) Formula: C34H46Cl2N4O2Ti MolecularWeight: 661.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=[C-]C(=NC=N1)Cl.CCCCC(CC)COC1=[C-]C(=NC=N1)Cl.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CCCCC(CC)COC1=[C-]C(=NC=N1)Cl.CCCCC(CC)COC1=[C-]C(=NC=N1)Cl.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C12H18ClN2O.2C5H5.Ti/c2*1-3-5-6-10(4-2)8-16-12-7-11(13)14-9-15-12;2*1-2-4-5-3-1;/h2*9-10H,3-6,8H2,1-2H3;2*1-3H,4H2;/q4*-1;+4