2-tert-butyl-4-methyl-phenol; 2-(2-methylpropyl)cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 2-(2-methylpropyl)cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 2-isobutylcyclopenta-1,3-diene; thioxotitanium(1+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 2-(2-methylpropyl)cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; 2-(2-methylpropyl)cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 2-isobutylcyclopenta-1,3-diene; thioxotitanium(1+); dichloride Formula: C20H29Cl2OSTi-2 MolecularWeight: 436.28166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC(C)CC1=[C-]CC=C1.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC(C)CC1=[C-]CC=C1.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C9H13.2ClH.S.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-8(2)7-9-5-3-4-6-9;;;;/h5-7,12H,1-4H3;3,5,8H,4,7H2,1-2H3;2*1H;;/q;-1;;;;+1/p-2