2-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; thioxotitanium(1+); dichloride CAS Name: 2-tert-butylphenol; 1-cyclopenta-1,4-dienylbenzene; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylphenol; cyclopenta-1,4-dien-1-ylbenzene; thioxotitanium(1+); dichloride Formula: C21H23Cl2OSTi-2 MolecularWeight: 442.24472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1O.C1C=CC(=[C-]1)C2=CC=CC=C2.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1O.C1C=CC(=[C-]1)C2=CC=CC=C2.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C11H9.C10H14O.2ClH.S.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-10(2,3)8-6-4-5-7-9(8)11;;;;/h1-4,6-8H,5H2;4-7,11H,1-3H3;2*1H;;/q-1;;;;;+1/p-2