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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 2-methyl-1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 2-methyl-1H-inden-1-ide; thioxotitanium(1+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 2-methyl-1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; 2-methyl-1H-inden-1-ide; sulfanylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 2-methyl-1H-inden-1-ide; thioxotitanium(1+); dichloride Formula: C21H25Cl2OSTi-2 MolecularWeight: 444.2606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC(=C(C=C1)O)C(C)(C)C.S=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC(=C(C=C1)O)C(C)(C)C.S=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C10H9.2ClH.S.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-8-6-9-4-2-3-5-10(9)7-8;;;;/h5-7,12H,1-4H3;2-7H,1H3;2*1H;;/q;-1;;;;+1/p-2