cyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; titanium; hydrate

Systemtic Name: cyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; titanium; hydrate Openeye Name: cyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; titanium; hydrate CAS Name: cyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; titanium; hydrate IUPAC Name: cyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; titanium; hydrate Traditional Name: cyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; titanium; hydrate Formula: C30H42OTi2-4 MolecularWeight: 514.38788

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[CH-]1C=CC=C1.[CH-]1C=CC=C1.O.[Ti].[Ti]

Isomeric SMILES

C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[CH-]1C=CC=C1.[CH-]1C=CC=C1.O.[Ti].[Ti]

InChI

InChI=1S/2C10H15.2C5H5.H2O.2Ti/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-2-4-5-3-1;;;/h2*1-5H3;2*1-5H;1H2;;/q4*-1;;;