[(1S,2S,3R,5S)-2-ethenyl-5-methyl-3-oxidanyl-3-propan-2-yloxycarbonyl-cyclopentyl] 4-bromanylbenzoate

Systemtic Name: [(1S,2S,3R,5S)-2-ethenyl-5-methyl-3-oxidanyl-3-propan-2-yloxycarbonyl-cyclopentyl] 4-bromanylbenzoate Openeye Name: [(1S,2S,3R,5S)-3-hydroxy-3-isopropoxycarbonyl-5-methyl-2-vinyl-cyclopentyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,2S,3R,5S)-2-ethenyl-3-hydroxy-5-methyl-3-[oxo(propan-2-yloxy)methyl]cyclopentyl] ester IUPAC Name: [(1S,2S,3R,5S)-2-ethenyl-3-hydroxy-5-methyl-3-propan-2-yloxycarbonylcyclopentyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,2S,3R,5S)-3-hydroxy-3-isopropoxycarbonyl-5-methyl-2-vinyl-cyclopentyl] ester Formula: C19H23BrO5 MolecularWeight: 411.28692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C1OC(=O)C2=CC=C(C=C2)Br)C=C)(C(=O)OC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrO5/c1-5-15-16(25-17(21)13-6-8-14(20)9-7-13)12(4)10-19(15,23)18(22)24-11(2)3/h5-9,11-12,15-16,23H,1,10H2,2-4H3/t12-,15-,16-,19+/m0/s1