methyl (1S,4R,5R)-5-acetyloxy-4-bromanyl-1-phenylmethoxycarbonyloxy-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,4R,5R)-5-acetyloxy-4-bromanyl-1-phenylmethoxycarbonyloxy-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,4R,5R)-5-acetoxy-1-benzyloxycarbonyloxy-4-bromo-cyclohex-2-ene-1-carboxylate CAS Name: (1S,4R,5R)-5-acetyloxy-4-bromo-1-phenylmethoxycarbonyloxy-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R,5R)-5-acetyloxy-4-bromo-1-phenylmethoxycarbonyloxycyclohex-2-ene-1-carboxylate Traditional Name: (1S,4R,5R)-5-acetoxy-4-bromo-1-carbobenzoxyoxy-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C18H19BrO7 MolecularWeight: 427.24326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C=CC1Br)(C(=O)OC)OC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H]1C[C@](C=C[C@H]1Br)(C(=O)OC)OC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H19BrO7/c1-12(20)25-15-10-18(16(21)23-2,9-8-14(15)19)26-17(22)24-11-13-6-4-3-5-7-13/h3-9,14-15H,10-11H2,1-2H3/t14-,15-,18-/m1/s1