benzene-1,3-diol; 2-tert-butyl-6-methyl-phenol; titanium

Systemtic Name: benzene-1,3-diol; 2-tert-butyl-6-methyl-phenol; titanium Openeye Name: benzene-1,3-diol; 2-tert-butyl-6-methyl-phenol; titanium CAS Name: benzene-1,3-diol; 2-tert-butyl-6-methylphenol; titanium IUPAC Name: benzene-1,3-diol; 2-tert-butyl-6-methylphenol; titanium Traditional Name: 2-tert-butyl-6-methyl-phenol; resorcinol; titanium Formula: C56H76O8Ti2 MolecularWeight: 972.93184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H16O.2C6H6O2.2Ti/c4*1-8-6-5-7-9(10(8)12)11(2,3)4;2*7-5-2-1-3-6(8)4-5;;/h4*5-7,12H,1-4H3;2*1-4,7-8H;;