4-tert-butylphenol; N-(3-chloranyl-4-oxidanyl-phenyl)ethanamide

Systemtic Name: 4-tert-butylphenol; N-(3-chloranyl-4-oxidanyl-phenyl)ethanamide Openeye Name: 4-tert-butylphenol; N-(3-chloro-4-hydroxy-phenyl)acetamide CAS Name: 4-tert-butylphenol; N-(3-chloro-4-hydroxyphenyl)acetamide IUPAC Name: 4-tert-butylphenol; N-(3-chloro-4-hydroxyphenyl)acetamide Traditional Name: 4-tert-butylphenol; N-(3-chloro-4-hydroxy-phenyl)acetamide Formula: C18H22ClNO3 MolecularWeight: 335.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)O)Cl.CC(C)(C)C1=CC=C(C=C1)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)O)Cl.CC(C)(C)C1=CC=C(C=C1)O

InChI

InChI=1S/C10H14O.C8H8ClNO2/c1-10(2,3)8-4-6-9(11)7-5-8;1-5(11)10-6-2-3-8(12)7(9)4-6/h4-7,11H,1-3H3;2-4,12H,1H3,(H,10,11)