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

Systemtic Name: 4-tert-butylphenol; methanal; 4-(2-methylbutan-2-yl)phenol; 2-methyloxirane Openeye Name: 4-tert-butylphenol; 4-(1,1-dimethylpropyl)phenol; formaldehyde; 2-methyloxirane CAS Name: 4-tert-butylphenol; formaldehyde; 4-(2-methylbutan-2-yl)phenol; 2-methyloxirane IUPAC Name: 4-tert-butylphenol; formaldehyde; 4-(2-methylbutan-2-yl)phenol; 2-methyloxirane Traditional Name: 4-tert-amylphenol; 4-tert-butylphenol; formaldehyde; propylene oxide Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)O.CC1CO1.CC(C)(C)C1=CC=C(C=C1)O.C=O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)O.CC1CO1.CC(C)(C)C1=CC=C(C=C1)O.C=O

InChI

InChI=1S/C11H16O.C10H14O.C3H6O.CH2O/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;1-3-2-4-3;1-2/h5-8,12H,4H2,1-3H3;4-7,11H,1-3H3;3H,2H2,1H3;1H2