bis(oxidanidyl)-oxidanylidene-titanium; 2-tert-butyl-6-methyl-phenol; 2-(hydroxymethyl)phenol

Systemtic Name: bis(oxidanidyl)-oxidanylidene-titanium; 2-tert-butyl-6-methyl-phenol; 2-(hydroxymethyl)phenol Openeye Name: 2-tert-butyl-6-methyl-phenol; dioxido(oxo)titanium; 2-(hydroxymethyl)phenol CAS Name: 2-tert-butyl-6-methylphenol; dioxido(oxo)titanium; 2-(hydroxymethyl)phenol IUPAC Name: 2-tert-butyl-6-methylphenol; dioxido(oxo)titanium; 2-(hydroxymethyl)phenol Traditional Name: 2-tert-butyl-6-methyl-phenol; keto(dioxido)titanium; 2-methylolphenol Formula: C29H40O7Ti-2 MolecularWeight: 548.4907

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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.C1=CC=C(C(=C1)CO)O.[O-][Ti](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/2C11H16O.C7H8O2.3O.Ti/c2*1-8-6-5-7-9(10(8)12)11(2,3)4;8-5-6-3-1-2-4-7(6)9;;;;/h2*5-7,12H,1-4H3;1-4,8-9H,5H2;;;;/q;;;;2*-1;