2-tert-butyl-4-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; thioxotitanium(1+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 1-cyclopenta-1,4-dienylbenzene; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,4-dien-1-ylbenzene; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,4-dien-1-ylbenzene; thioxotitanium(1+); dichloride Formula: C22H25Cl2OSTi-2 MolecularWeight: 456.2713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.C1C=CC(=[C-]1)C2=CC=CC=C2.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.C1C=CC(=[C-]1)C2=CC=CC=C2.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C11H9.2ClH.S.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-6-10(7-3-1)11-8-4-5-9-11;;;;/h5-7,12H,1-4H3;1-4,6-8H,5H2;2*1H;;/q;-1;;;;+1/p-2