methyl 5-methyl-5-[3-(2-oxidanylethanoyl)phenyl]hexanoate

Systemtic Name: methyl 5-methyl-5-[3-(2-oxidanylethanoyl)phenyl]hexanoate Openeye Name: methyl 5-[3-(2-hydroxyacetyl)phenyl]-5-methyl-hexanoate CAS Name: 5-[3-(2-hydroxy-1-oxoethyl)phenyl]-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-[3-(2-hydroxyacetyl)phenyl]-5-methylhexanoate Traditional Name: 5-(3-glycoloylphenyl)-5-methyl-hexanoic acid methyl ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O4/c1-16(2,9-5-8-15(19)20-3)13-7-4-6-12(10-13)14(18)11-17/h4,6-7,10,17H,5,8-9,11H2,1-3H3