4-tert-butylphenol; methanal; phenol

Systemtic Name: 4-tert-butylphenol; methanal; phenol Openeye Name: 4-tert-butylphenol; formaldehyde; phenol CAS Name: 4-tert-butylphenol; formaldehyde; phenol IUPAC Name: 4-tert-butylphenol; formaldehyde; phenol Traditional Name: 4-tert-butylphenol; formaldehyde; phenol Formula: C17H22O3 MolecularWeight: 274.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.C6H6O.CH2O/c1-10(2,3)8-4-6-9(11)7-5-8;7-6-4-2-1-3-5-6;1-2/h4-7,11H,1-3H3;1-5,7H;1H2