2-tert-butylphenol; 1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butylphenol; 1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylphenol; 1H-inden-1-ide; thioxotitanium(1+); dichloride CAS Name: 2-tert-butylphenol; 1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butylphenol; 1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylphenol; 1H-inden-1-ide; thioxotitanium(1+); dichloride Formula: C19H21Cl2OSTi-2 MolecularWeight: 416.20744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1O.[CH-]1C=CC2=CC=CC=C21.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1O.[CH-]1C=CC2=CC=CC=C21.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C10H14O.C9H7.2ClH.S.Ti/c1-10(2,3)8-6-4-5-7-9(8)11;1-2-5-9-7-3-6-8(9)4-1;;;;/h4-7,11H,1-3H3;1-7H;2*1H;;/q;-1;;;;+1/p-2