4-tert-butylphenol; 4-(2-methylbutan-2-yl)phenol

Systemtic Name: 4-tert-butylphenol; 4-(2-methylbutan-2-yl)phenol Openeye Name: 4-tert-butylphenol; 4-(1,1-dimethylpropyl)phenol CAS Name: 4-tert-butylphenol; 4-(2-methylbutan-2-yl)phenol IUPAC Name: 4-tert-butylphenol; 4-(2-methylbutan-2-yl)phenol Traditional Name: 4-tert-amylphenol; 4-tert-butylphenol Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C10H14O/c1-4-11(2,3)9-5-7-10(12)8-6-9;1-10(2,3)8-4-6-9(11)7-5-8/h5-8,12H,4H2,1-3H3;4-7,11H,1-3H3