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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2-tert-butylphenol; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; 2-tert-butylphenol; thioxotitanium(1+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; 2-tert-butylphenol; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; 2-tert-butylphenol; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; 2-tert-butylphenol; thioxotitanium(1+); dichloride Formula: C19H27Cl2OSTi-2 MolecularWeight: 422.25508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC(C)(C)C1=CC=CC=C1O.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CC(C)(C)C1=CC=CC=C1O.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C10H14O.C9H13.2ClH.S.Ti/c1-10(2,3)8-6-4-5-7-9(8)11;1-2-3-6-9-7-4-5-8-9;;;;/h4-7,11H,1-3H3;4,7H,2-3,5-6H2,1H3;2*1H;;/q;-1;;;;+1/p-2