[4-acetyloxy-1-(2,6-dimethyloxan-4-yl)-6-oxidanyl-octan-2-yl] 2,2,2-tris(bromanyl)ethanoate

Systemtic Name: [4-acetyloxy-1-(2,6-dimethyloxan-4-yl)-6-oxidanyl-octan-2-yl] 2,2,2-tris(bromanyl)ethanoate Openeye Name: [3-acetoxy-1-[(2,6-dimethyltetrahydropyran-4-yl)methyl]-5-hydroxy-heptyl] 2,2,2-tribromoacetate CAS Name: 2,2,2-tribromoacetic acid [4-acetyloxy-1-(2,6-dimethyl-4-oxanyl)-6-hydroxyoctan-2-yl] ester IUPAC Name: [4-acetyloxy-1-(2,6-dimethyloxan-4-yl)-6-hydroxyoctan-2-yl] 2,2,2-tribromoacetate Traditional Name: 2,2,2-tribromoacetic acid [3-acetoxy-1-[(2,6-dimethyltetrahydropyran-4-yl)methyl]-5-hydroxy-heptyl] ester Formula: C19H31Br3O6 MolecularWeight: 595.15784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC1CC(OC(C1)C)C)OC(=O)C(Br)(Br)Br)OC(=O)C)O

Isomeric SMILES

CCC(CC(CC(CC1CC(OC(C1)C)C)OC(=O)C(Br)(Br)Br)OC(=O)C)O

InChI

InChI=1S/C19H31Br3O6/c1-5-15(24)9-17(27-13(4)23)10-16(28-18(25)19(20,21)22)8-14-6-11(2)26-12(3)7-14/h11-12,14-17,24H,5-10H2,1-4H3