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

Systemtic Name: 6-chloranyl-2,4-bis(3-methylbutoxy)-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: 6-chloro-2,4-diisopentyloxy-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) CAS Name: 6-chloro-2,4-bis(3-methylbutoxy)-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: 6-chloro-2,4-bis(3-methylbutoxy)-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) Traditional Name: 6-chloro-2,4-diisoamoxy-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) Formula: C38H58Cl2N4O4Ti MolecularWeight: 753.66452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1C=C(N=C([N-]1)OCCC(C)C)Cl.CC(C)CCOC1C=C(N=C([N-]1)OCCC(C)C)Cl.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC(C)CCOC1C=C(N=C([N-]1)OCCC(C)C)Cl.CC(C)CCOC1C=C(N=C([N-]1)OCCC(C)C)Cl.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C14H24ClN2O2.2C5H5.Ti/c2*1-10(2)5-7-18-13-9-12(15)16-14(17-13)19-8-6-11(3)4;2*1-2-4-5-3-1;/h2*9-11,13H,5-8H2,1-4H3;2*1-3H,4H2;/q4*-1;+4