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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2-tert-butyl-4-methyl-phenol; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; 2-tert-butyl-4-methyl-phenol; thioxotitanium(1+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; 2-tert-butyl-4-methylphenol; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; 2-tert-butyl-4-methylphenol; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; 2-tert-butyl-4-methyl-phenol; thioxotitanium(1+); dichloride Formula: C20H29Cl2OSTi-2 MolecularWeight: 436.28166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC1=CC(=C(C=C1)O)C(C)(C)C.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CC1=CC(=C(C=C1)O)C(C)(C)C.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C9H13.2ClH.S.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-3-6-9-7-4-5-8-9;;;;/h5-7,12H,1-4H3;4,7H,2-3,5-6H2,1H3;2*1H;;/q;-1;;;;+1/p-2