4-tert-butylphenol; methanal; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: 4-tert-butylphenol; methanal; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(1,1,3,3-tetramethylbutyl)phenol CAS Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: 4-tert-butylphenol; formaldehyde; phenol; 4-(1,1,3,3-tetramethylbutyl)phenol Formula: C31H44O4 MolecularWeight: 480.67866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O.C10H14O.C6H6O.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-10(2,3)8-4-6-9(11)7-5-8;7-6-4-2-1-3-5-6;1-2/h6-9,15H,10H2,1-5H3;4-7,11H,1-3H3;1-5,7H;1H2