2-[bis(3,5-dimethyl-2-oxidanyl-phenyl)methyl]-4,6-dimethyl-phenol; propan-2-ol; titanium

Systemtic Name: 2-[bis(3,5-dimethyl-2-oxidanyl-phenyl)methyl]-4,6-dimethyl-phenol; propan-2-ol; titanium Openeye Name: 2-[bis(2-hydroxy-3,5-dimethyl-phenyl)methyl]-4,6-dimethyl-phenol; propan-2-ol; titanium CAS Name: 2-[bis(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol; 2-propanol; titanium IUPAC Name: 2-[bis(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol; propan-2-ol; titanium Traditional Name: 2-[bis(2-hydroxy-3,5-dimethyl-phenyl)methyl]-4,6-dimethyl-phenol; propan-2-ol; titanium Formula: C68H104O12Ti3 MolecularWeight: 1257.14716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C3=CC(=CC(=C3O)C)C)O)C.CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C3=CC(=CC(=C3O)C)C)O)C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.[Ti].[Ti].[Ti]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C3=CC(=CC(=C3O)C)C)O)C.CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C)C)C3=CC(=CC(=C3O)C)C)O)C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.[Ti].[Ti].[Ti]

InChI

InChI=1S/2C25H28O3.6C3H8O.3Ti/c2*1-13-7-16(4)23(26)19(10-13)22(20-11-14(2)8-17(5)24(20)27)21-12-15(3)9-18(6)25(21)28;6*1-3(2)4;;;/h2*7-12,22,26-28H,1-6H3;6*3-4H,1-2H3;;;