2-(3,5-dimethyl-2-oxidanyl-phenyl)sulfanyl-4,6-dimethyl-phenol; titanium(2+); dichloride

Systemtic Name: 2-(3,5-dimethyl-2-oxidanyl-phenyl)sulfanyl-4,6-dimethyl-phenol; titanium(2+); dichloride Openeye Name: 2-(2-hydroxy-3,5-dimethyl-phenyl)sulfanyl-4,6-dimethyl-phenol; titanium(2+); dichloride CAS Name: 2-[(2-hydroxy-3,5-dimethylphenyl)thio]-4,6-dimethylphenol; titanium(2+); dichloride IUPAC Name: 2-(2-hydroxy-3,5-dimethylphenyl)sulfanyl-4,6-dimethylphenol; titanium(2+); dichloride Traditional Name: 2-[(2-hydroxy-3,5-dimethyl-phenyl)thio]-4,6-dimethyl-phenol; titanium(2+); dichloride Formula: C16H18Cl2O2STi MolecularWeight: 393.15092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C)C)O)C.[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C)C)O)C.[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C16H18O2S.2ClH.Ti/c1-9-5-11(3)15(17)13(7-9)19-14-8-10(2)6-12(4)16(14)18;;;/h5-8,17-18H,1-4H3;2*1H;/q;;;+2/p-2