4-bromanyl-2-tert-butyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride

Systemtic Name: 4-bromanyl-2-tert-butyl-phenol; thiophen-2-ylmethylidenetitanium; dichloride Openeye Name: 4-bromo-2-tert-butyl-phenol; 2-thienylmethylenetitanium; dichloride CAS Name: 4-bromo-2-tert-butylphenol; thiophen-2-ylmethylidenetitanium; dichloride IUPAC Name: 4-bromo-2-tert-butylphenol; thiophen-2-ylmethylidenetitanium; dichloride Traditional Name: 4-bromo-2-tert-butyl-phenol; 2-thenylidenetitanium; dichloride Formula: C25H30Br2Cl2O2STi-2 MolecularWeight: 673.1505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)O.CC(C)(C)C1=C(C=CC(=C1)Br)O.C1=CSC(=C1)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)O.CC(C)(C)C1=C(C=CC(=C1)Br)O.C1=CSC(=C1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C10H13BrO.C5H4S.2ClH.Ti/c2*1-10(2,3)8-6-7(11)4-5-9(8)12;1-5-3-2-4-6-5;;;/h2*4-6,12H,1-3H3;1-4H;2*1H;/p-2