methyl 5-[3-ethanoyl-2,4-bis(oxidanyl)phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[3-ethanoyl-2,4-bis(oxidanyl)phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-(3-acetyl-2,4-dihydroxy-phenyl)-5-methyl-hexanoate CAS Name: 5-(3-acetyl-2,4-dihydroxyphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3-acetyl-2,4-dihydroxyphenyl)-5-methylhexanoate Traditional Name: 5-(3-acetyl-2,4-dihydroxy-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1O)C(C)(C)CCCC(=O)OC)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1O)C(C)(C)CCCC(=O)OC)O

InChI

InChI=1S/C16H22O5/c1-10(17)14-12(18)8-7-11(15(14)20)16(2,3)9-5-6-13(19)21-4/h7-8,18,20H,5-6,9H2,1-4H3