3-butyl-4-methoxy-phenol; 2,6-ditert-butyl-4-methyl-phenol

Systemtic Name: 3-butyl-4-methoxy-phenol; 2,6-ditert-butyl-4-methyl-phenol Openeye Name: 3-butyl-4-methoxy-phenol; 2,6-ditert-butyl-4-methyl-phenol CAS Name: 3-butyl-4-methoxyphenol; 2,6-ditert-butyl-4-methylphenol IUPAC Name: 3-butyl-4-methoxyphenol; 2,6-ditert-butyl-4-methylphenol Traditional Name: 3-butyl-4-methoxy-phenol; 2,6-ditert-butyl-4-methyl-phenol Formula: C26H40O3 MolecularWeight: 400.594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)O)OC.CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C=CC(=C1)O)OC.CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C15H24O.C11H16O2/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-3-4-5-9-8-10(12)6-7-11(9)13-2/h8-9,16H,1-7H3;6-8,12H,3-5H2,1-2H3