cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium(3+)

Systemtic Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium(3+) Openeye Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium(3+) CAS Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methylphenol; titanium(3+) IUPAC Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methylphenol; titanium(3+) Traditional Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium(3+) Formula: C20H29OTi+2 MolecularWeight: 333.31066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1C=CC=[C-]1.[Ti+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1C=CC=[C-]1.[Ti+3]

InChI

InChI=1S/C15H24O.C5H5.Ti/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-2-4-5-3-1;/h8-9,16H,1-7H3;1-3H,4H2;/q;-1;+3