2-tert-butylphenol; 2-propan-2-ylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butylphenol; 2-propan-2-ylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylphenol; 2-isopropylcyclopenta-1,3-diene; thioxotitanium(1+); dichloride CAS Name: 2-tert-butylphenol; 2-propan-2-ylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butylphenol; 2-propan-2-ylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylphenol; 2-isopropylcyclopenta-1,3-diene; thioxotitanium(1+); dichloride Formula: C18H25Cl2OSTi-2 MolecularWeight: 408.2285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[C-]CC=C1.CC(C)(C)C1=CC=CC=C1O.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=[C-]CC=C1.CC(C)(C)C1=CC=CC=C1O.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C10H14O.C8H11.2ClH.S.Ti/c1-10(2,3)8-6-4-5-7-9(8)11;1-7(2)8-5-3-4-6-8;;;;/h4-7,11H,1-3H3;3,5,7H,4H2,1-2H3;2*1H;;/q;-1;;;;+1/p-2