3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; thioxotitanium(1+); dichloride CAS Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; sulfanylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; thioxotitanium(1+); dichloride Formula: C16H21Cl2OSTi-2 MolecularWeight: 380.17534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C5H5.2ClH.S.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-2-4-5-3-1;;;;/h5-7,12H,1-4H3;1-3H,4H2;2*1H;;/q;-1;;;;+1/p-2