methanidylbenzene; 4-methyl-2,6-di(propan-2-yl)phenol; titanium(2+)

Systemtic Name: methanidylbenzene; 4-methyl-2,6-di(propan-2-yl)phenol; titanium(2+) Openeye Name: 2,6-diisopropyl-4-methyl-phenol; methanidylbenzene; titanium(2+) CAS Name: methanidylbenzene; 4-methyl-2,6-di(propan-2-yl)phenol; titanium(2+) IUPAC Name: methanidylbenzene; 4-methyl-2,6-di(propan-2-yl)phenol; titanium(2+) Traditional Name: 2,6-diisopropyl-4-methyl-phenol; methanidylbenzene; titanium(2+) Formula: C40H54O2Ti MolecularWeight: 614.72256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)C)O)C(C)C.CC1=CC(=C(C(=C1)C(C)C)O)C(C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Ti+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)C)O)C(C)C.CC1=CC(=C(C(=C1)C(C)C)O)C(C)C.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Ti+2]

InChI

InChI=1S/2C13H20O.2C7H7.Ti/c2*1-8(2)11-6-10(5)7-12(9(3)4)13(11)14;2*1-7-5-3-2-4-6-7;/h2*6-9,14H,1-5H3;2*2-6H,1H2;/q;;2*-1;+2