[(2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-chloranyl-propyl] ethanoate

Systemtic Name: [(2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-chloranyl-propyl] ethanoate Openeye Name: [(2S,3R)-3-acetoxy-3-(1,3-benzodioxol-5-yl)-2-chloro-propyl] acetate CAS Name: acetic acid [(2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-chloropropyl] ester IUPAC Name: [(2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-chloropropyl] acetate Traditional Name: acetic acid [(2S,3R)-3-acetoxy-3-(1,3-benzodioxol-5-yl)-2-chloro-propyl] ester Formula: C14H15ClO6 MolecularWeight: 314.7183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1=CC2=C(C=C1)OCO2)OC(=O)C)Cl

Isomeric SMILES

CC(=O)OC[C@@H]([C@@H](C1=CC2=C(C=C1)OCO2)OC(=O)C)Cl

InChI

InChI=1S/C14H15ClO6/c1-8(16)18-6-11(15)14(21-9(2)17)10-3-4-12-13(5-10)20-7-19-12/h3-5,11,14H,6-7H2,1-2H3/t11-,14+/m0/s1