methyl 5-methyl-5-[2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]hexanoate

Systemtic Name: methyl 5-methyl-5-[2-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]hexanoate Openeye Name: methyl 5-[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]-5-methyl-hexanoate CAS Name: 5-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]-5-methyl-hexanoic acid methyl ester Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CCCC(=O)OC

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)CCCC(=O)OC

InChI

InChI=1S/C22H36O3/c1-20(2,3)15-22(6,7)16-11-12-18(23)17(14-16)21(4,5)13-9-10-19(24)25-8/h11-12,14,23H,9-10,13,15H2,1-8H3