2-tert-butyl-4-methyl-phenol; 2-ethylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 2-ethylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 2-ethylcyclopenta-1,3-diene; thioxotitanium(1+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 2-ethylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; 2-ethylcyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 2-ethylcyclopenta-1,3-diene; thioxotitanium(1+); dichloride Formula: C18H25Cl2OSTi-2 MolecularWeight: 408.2285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=[C-]CC=C1.CC1=CC(=C(C=C1)O)C(C)(C)C.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CCC1=[C-]CC=C1.CC1=CC(=C(C=C1)O)C(C)(C)C.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C7H9.2ClH.S.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-7-5-3-4-6-7;;;;/h5-7,12H,1-4H3;3,5H,2,4H2,1H3;2*1H;;/q;-1;;;;+1/p-2