(phenylmethyl) (2R)-2-[(1R,2S)-1-(3-methylbutanoyloxy)-2-oxidanyl-propyl]hexanoate

Systemtic Name: (phenylmethyl) (2R)-2-[(1R,2S)-1-(3-methylbutanoyloxy)-2-oxidanyl-propyl]hexanoate Openeye Name: benzyl (2R)-2-[(1R,2S)-2-hydroxy-1-(3-methylbutanoyloxy)propyl]hexanoate CAS Name: (2R)-2-[(1R,2S)-2-hydroxy-1-(3-methyl-1-oxobutoxy)propyl]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(1R,2S)-2-hydroxy-1-(3-methylbutanoyloxy)propyl]hexanoate Traditional Name: (2R)-2-[(1R,2S)-2-hydroxy-1-isovaleryloxy-propyl]hexanoic acid benzyl ester Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C)O)OC(=O)CC(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCC[C@H]([C@H]([C@H](C)O)OC(=O)CC(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H32O5/c1-5-6-12-18(20(16(4)22)26-19(23)13-15(2)3)21(24)25-14-17-10-8-7-9-11-17/h7-11,15-16,18,20,22H,5-6,12-14H2,1-4H3/t16-,18+,20-/m0/s1