4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; methane; titanium(2+); diphenoxide

Systemtic Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; methane; titanium(2+); diphenoxide Openeye Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; methane; titanium(2+); diphenoxide CAS Name: 4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-2,3-dimethylphenol; methane; titanium(2+); diphenoxide IUPAC Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethylphenol; methane; titanium(2+); diphenoxide Traditional Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; methane; titanium(2+); diphenoxide Formula: C30H36O3Ti MolecularWeight: 492.47204

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C=CC(=C1C)O)C2=CC(=CC2)C(C)(C)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

Isomeric SMILES

C.CC1=C(C=CC(=C1C)O)C2=CC(=CC2)C(C)(C)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

InChI

InChI=1S/C17H22O.2C6H6O.CH4.Ti/c1-11-12(2)16(18)9-8-15(11)13-6-7-14(10-13)17(3,4)5;2*7-6-4-2-1-3-5-6;;/h7-10,18H,6H2,1-5H3;2*1-5,7H;1H4;/q;;;;+2/p-2