cyclopenta-1,3-diene; 3,5-ditert-butylphenol; titanium(3+)

Systemtic Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; titanium(3+) Openeye Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; titanium(3+) CAS Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; titanium(3+) IUPAC Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; titanium(3+) Traditional Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; titanium(3+) Formula: C19H27OTi+2 MolecularWeight: 319.28408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O.C5H5.Ti/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;1-2-4-5-3-1;/h7-9,15H,1-6H3;1-3H,4H2;/q;-1;+3