(phenylmethyl) 2-(2,2-dimethylpropanoyloxymethyl)-3-methanoyl-5-methyl-2-oxidanyl-hexanoate

Systemtic Name: (phenylmethyl) 2-(2,2-dimethylpropanoyloxymethyl)-3-methanoyl-5-methyl-2-oxidanyl-hexanoate Openeye Name: benzyl 2-(2,2-dimethylpropanoyloxymethyl)-3-formyl-2-hydroxy-5-methyl-hexanoate CAS Name: 2-[(2,2-dimethyl-1-oxopropoxy)methyl]-3-formyl-2-hydroxy-5-methylhexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,2-dimethylpropanoyloxymethyl)-3-formyl-2-hydroxy-5-methylhexanoate Traditional Name: 3-formyl-2-hydroxy-5-methyl-2-(pivaloyloxymethyl)hexanoic acid benzyl ester Formula: C21H30O6 MolecularWeight: 378.4593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=O)C(COC(=O)C(C)(C)C)(C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)CC(C=O)C(COC(=O)C(C)(C)C)(C(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C21H30O6/c1-15(2)11-17(12-22)21(25,14-27-18(23)20(3,4)5)19(24)26-13-16-9-7-6-8-10-16/h6-10,12,15,17,25H,11,13-14H2,1-5H3