[(2S)-1-[(2S,5S,6R)-6-methyl-5-oxidanyl-7-oxidanylidene-oxepan-2-yl]propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-[(2S,5S,6R)-6-methyl-5-oxidanyl-7-oxidanylidene-oxepan-2-yl]propan-2-yl] ethanoate Openeye Name: [(1S)-2-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-oxepan-2-yl]-1-methyl-ethyl] acetate CAS Name: acetic acid [(2S)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxo-2-oxepanyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,5S,6R)-5-hydroxy-6-methyl-7-oxooxepan-2-yl]propan-2-yl] acetate Traditional Name: acetic acid [(1S)-2-[(2S,5S,6R)-5-hydroxy-7-keto-6-methyl-oxepan-2-yl]-1-methyl-ethyl] ester Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(OC1=O)CC(C)OC(=O)C)O

Isomeric SMILES

C[C@@H]1[C@H](CC[C@H](OC1=O)C[C@H](C)OC(=O)C)O

InChI

InChI=1S/C12H20O5/c1-7(16-9(3)13)6-10-4-5-11(14)8(2)12(15)17-10/h7-8,10-11,14H,4-6H2,1-3H3/t7-,8+,10-,11-/m0/s1