2-tert-butyl-4,6-dimethyl-phenol; 2-tert-butyl-4-methyl-phenol; 4-tert-butyl-3-methyl-phenol

Systemtic Name: 2-tert-butyl-4,6-dimethyl-phenol; 2-tert-butyl-4-methyl-phenol; 4-tert-butyl-3-methyl-phenol Openeye Name: 2-tert-butyl-4,6-dimethyl-phenol; 2-tert-butyl-4-methyl-phenol; 4-tert-butyl-3-methyl-phenol CAS Name: 2-tert-butyl-4,6-dimethylphenol; 2-tert-butyl-4-methylphenol; 4-tert-butyl-3-methylphenol IUPAC Name: 2-tert-butyl-4,6-dimethylphenol; 2-tert-butyl-4-methylphenol; 4-tert-butyl-3-methylphenol Traditional Name: 2-tert-butyl-4,6-dimethyl-phenol; 2-tert-butyl-4-methyl-phenol; 4-tert-butyl-3-methyl-phenol Formula: C34H50O3 MolecularWeight: 506.759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)O)C.CC1=C(C=CC(=C1)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C(=C1)C(C)(C)C)O)C.CC1=C(C=CC(=C1)O)C(C)(C)C

InChI

InChI=1S/C12H18O.2C11H16O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-5-6-10(12)9(7-8)11(2,3)4/h6-7,13H,1-5H3;2*5-7,12H,1-4H3