[(1S,4R,5S,6S)-6-acetyloxy-4-oxidanyl-5-propanoyloxy-cyclohex-2-en-1-yl] propanoate

Systemtic Name: [(1S,4R,5S,6S)-6-acetyloxy-4-oxidanyl-5-propanoyloxy-cyclohex-2-en-1-yl] propanoate Openeye Name: [(1S,4R,5S,6S)-6-acetoxy-4-hydroxy-5-propanoyloxy-cyclohex-2-en-1-yl] propanoate CAS Name: propanoic acid [(1S,4R,5S,6S)-6-acetyloxy-4-hydroxy-5-(1-oxopropoxy)-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,4R,5S,6S)-6-acetyloxy-4-hydroxy-5-propanoyloxycyclohex-2-en-1-yl] propanoate Traditional Name: propionic acid [(1S,4R,5S,6S)-6-acetoxy-4-hydroxy-5-propionyloxy-cyclohex-2-en-1-yl] ester Formula: C14H20O7 MolecularWeight: 300.3044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C=CC(C(C1OC(=O)C)OC(=O)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C14H20O7/c1-4-11(17)20-10-7-6-9(16)13(21-12(18)5-2)14(10)19-8(3)15/h6-7,9-10,13-14,16H,4-5H2,1-3H3/t9-,10+,13+,14+/m1/s1