ethyl (2S,3R)-2-methyl-3-oxidanyl-4-oxidanylidene-3-phenethyl-hexanoate

Systemtic Name: ethyl (2S,3R)-2-methyl-3-oxidanyl-4-oxidanylidene-3-phenethyl-hexanoate Openeye Name: ethyl (2S,3R)-3-hydroxy-2-methyl-4-oxo-3-phenethyl-hexanoate CAS Name: (2S,3R)-3-hydroxy-2-methyl-4-oxo-3-phenethylhexanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-hydroxy-2-methyl-4-oxo-3-phenethylhexanoate Traditional Name: (2S,3R)-3-hydroxy-4-keto-2-methyl-3-phenethyl-hexanoic acid ethyl ester Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCC1=CC=CC=C1)(C(C)C(=O)OCC)O

Isomeric SMILES

CCC(=O)[C@@](CCC1=CC=CC=C1)([C@H](C)C(=O)OCC)O

InChI

InChI=1S/C17H24O4/c1-4-15(18)17(20,13(3)16(19)21-5-2)12-11-14-9-7-6-8-10-14/h6-10,13,20H,4-5,11-12H2,1-3H3/t13-,17-/m1/s1