carbanide; 2-methyl-4-[2-(3-methyl-4-oxidanyl-phenyl)propan-2-yl]phenol; titanium

Systemtic Name: carbanide; 2-methyl-4-[2-(3-methyl-4-oxidanyl-phenyl)propan-2-yl]phenol; titanium Openeye Name: carbanide; 4-[1-(4-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]-2-methyl-phenol; titanium CAS Name: carbanide; 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol; titanium IUPAC Name: carbanide; 4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol; titanium Traditional Name: carbanide; 4-[1-(4-hydroxy-3-methyl-phenyl)-1-methyl-ethyl]-2-methyl-phenol; titanium Formula: C53H66O6Ti2-2 MolecularWeight: 894.82154

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O.CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O.CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O.[Ti].[Ti]

Isomeric SMILES

[CH3-].[CH3-].CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O.CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O.CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O.[Ti].[Ti]

InChI

InChI=1S/3C17H20O2.2CH3.2Ti/c3*1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14;;;;/h3*5-10,18-19H,1-4H3;2*1H3;;/q;;;2*-1;;