[(2S)-2-[(2R,5R,6S)-5-methyl-6-oxidanyl-8-oxidanylidene-oxocan-2-yl]propyl] 2-chloranylethanoate

Systemtic Name: [(2S)-2-[(2R,5R,6S)-5-methyl-6-oxidanyl-8-oxidanylidene-oxocan-2-yl]propyl] 2-chloranylethanoate Openeye Name: [(2S)-2-[(2R,5R,6S)-6-hydroxy-5-methyl-8-oxo-oxocan-2-yl]propyl] 2-chloroacetate CAS Name: 2-chloroacetic acid [(2S)-2-[(2R,5R,6S)-6-hydroxy-5-methyl-8-oxo-2-oxocanyl]propyl] ester IUPAC Name: [(2S)-2-[(2R,5R,6S)-6-hydroxy-5-methyl-8-oxooxocan-2-yl]propyl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [(2S)-2-[(2R,5R,6S)-6-hydroxy-8-keto-5-methyl-oxocan-2-yl]propyl] ester Formula: C13H21ClO5 MolecularWeight: 292.75584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC(=O)CC1O)C(C)COC(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C13H21ClO5/c1-8-3-4-11(19-12(16)5-10(8)15)9(2)7-18-13(17)6-14/h8-11,15H,3-7H2,1-2H3/t8-,9+,10+,11-/m1/s1