(2,4,6-triacetyloxy-3-ethanoyl-5-oxidanyl-1-oxidanylidene-hexan-3-yl) 2-(chloromethyl)benzoate

Systemtic Name: (2,4,6-triacetyloxy-3-ethanoyl-5-oxidanyl-1-oxidanylidene-hexan-3-yl) 2-(chloromethyl)benzoate Openeye Name: [2,4-diacetoxy-1-(1-acetoxy-2-oxo-ethyl)-1-acetyl-3-hydroxy-butyl] 2-(chloromethyl)benzoate CAS Name: 2-(chloromethyl)benzoic acid (3-acetyl-2,4,6-triacetyloxy-5-hydroxy-1-oxohexan-3-yl) ester IUPAC Name: (3-acetyl-2,4,6-triacetyloxy-5-hydroxy-1-oxohexan-3-yl) 2-(chloromethyl)benzoate Traditional Name: 2-(chloromethyl)benzoic acid [2,4-diacetoxy-1-(1-acetoxy-2-keto-ethyl)-1-acetyl-3-hydroxy-butyl] ester Formula: C22H25ClO11 MolecularWeight: 500.8803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C=O)OC(=O)C)(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C1=CC=CC=C1CCl

Isomeric SMILES

CC(=O)C(C(C=O)OC(=O)C)(C(C(COC(=O)C)O)OC(=O)C)OC(=O)C1=CC=CC=C1CCl

InChI

InChI=1S/C22H25ClO11/c1-12(25)22(19(10-24)32-14(3)27,20(33-15(4)28)18(29)11-31-13(2)26)34-21(30)17-8-6-5-7-16(17)9-23/h5-8,10,18-20,29H,9,11H2,1-4H3