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

Systemtic Name: 2-tert-butyl-4-propoxy-phenol; thiophen-2-ylmethylidenetitanium; dichloride Openeye Name: 2-tert-butyl-4-propoxy-phenol; 2-thienylmethylenetitanium; dichloride CAS Name: 2-tert-butyl-4-propoxyphenol; thiophen-2-ylmethylidenetitanium; dichloride IUPAC Name: 2-tert-butyl-4-propoxyphenol; thiophen-2-ylmethylidenetitanium; dichloride Traditional Name: 2-tert-butyl-4-propoxy-phenol; 2-thenylidenetitanium; dichloride Formula: C31H44Cl2O4STi-2 MolecularWeight: 631.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)O)C(C)(C)C.CCCOC1=CC(=C(C=C1)O)C(C)(C)C.C1=CSC(=C1)C=[Ti].[Cl-].[Cl-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1)O)C(C)(C)C.CCCOC1=CC(=C(C=C1)O)C(C)(C)C.C1=CSC(=C1)C=[Ti].[Cl-].[Cl-]

InChI

InChI=1S/2C13H20O2.C5H4S.2ClH.Ti/c2*1-5-8-15-10-6-7-12(14)11(9-10)13(2,3)4;1-5-3-2-4-6-5;;;/h2*6-7,9,14H,5,8H2,1-4H3;1-4H;2*1H;/p-2