(phenylmethyl) (2S,3R)-3-methanoyl-2-(2-oxidanylidenepropyl)hexanoate

Systemtic Name: (phenylmethyl) (2S,3R)-3-methanoyl-2-(2-oxidanylidenepropyl)hexanoate Openeye Name: benzyl (2S,3R)-2-acetonyl-3-formyl-hexanoate CAS Name: (2S,3R)-3-formyl-2-(2-oxopropyl)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-formyl-2-(2-oxopropyl)hexanoate Traditional Name: (2S,3R)-2-acetonyl-3-formyl-hexanoic acid benzyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O4/c1-3-7-15(11-18)16(10-13(2)19)17(20)21-12-14-8-5-4-6-9-14/h4-6,8-9,11,15-16H,3,7,10,12H2,1-2H3/t15-,16-/m0/s1