2,6-ditert-butyl-4-[[butyl(cyclohexyl)amino]methyl]phenol; ethanoic acid

Systemtic Name: 2,6-ditert-butyl-4-[[butyl(cyclohexyl)amino]methyl]phenol; ethanoic acid Openeye Name: acetic acid; 2,6-ditert-butyl-4-[[butyl(cyclohexyl)amino]methyl]phenol CAS Name: acetic acid; 2,6-ditert-butyl-4-[[butyl(cyclohexyl)amino]methyl]phenol IUPAC Name: acetic acid; 2,6-ditert-butyl-4-[[butyl(cyclohexyl)amino]methyl]phenol Traditional Name: acetic acid; 2,6-ditert-butyl-4-[[butyl(cyclohexyl)amino]methyl]phenol Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C2CCCCC2.CC(=O)O

Isomeric SMILES

CCCCN(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C2CCCCC2.CC(=O)O

InChI

InChI=1S/C25H43NO.C2H4O2/c1-8-9-15-26(20-13-11-10-12-14-20)18-19-16-21(24(2,3)4)23(27)22(17-19)25(5,6)7;1-2(3)4/h16-17,20,27H,8-15,18H2,1-7H3;1H3,(H,3,4)