2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; sulfanylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; thioxotitanium(1+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 9H-fluoren-9-ide; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; 9H-fluoren-9-ide; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; thioxotitanium(1+); dichloride Formula: C24H25Cl2OSTi-2 MolecularWeight: 480.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C11H16O.2ClH.S.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-5-6-10(12)9(7-8)11(2,3)4;;;;/h1-9H;5-7,12H,1-4H3;2*1H;;/q-1;;;;;+1/p-2