[(2R,4E,6R)-2-methyl-10-oxidanylidene-2,3,6,7,8,9-hexahydrooxecin-6-yl] 2-bromanylbenzoate

Systemtic Name: [(2R,4E,6R)-2-methyl-10-oxidanylidene-2,3,6,7,8,9-hexahydrooxecin-6-yl] 2-bromanylbenzoate Openeye Name: [(2R,4E,6R)-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-6-yl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2R,4E,6R)-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-6-yl] ester IUPAC Name: [(2R,4E,6R)-2-methyl-10-oxo-2,3,6,7,8,9-hexahydrooxecin-6-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(2R,4E,6R)-10-keto-2-methyl-2,3,6,7,8,9-hexahydrooxecin-6-yl] ester Formula: C17H19BrO4 MolecularWeight: 367.23436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC(CCCC(=O)O1)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C[C@@H]1C/C=C/[C@@H](CCCC(=O)O1)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H19BrO4/c1-12-6-4-7-13(8-5-11-16(19)21-12)22-17(20)14-9-2-3-10-15(14)18/h2-4,7,9-10,12-13H,5-6,8,11H2,1H3/b7-4+/t12-,13+/m1/s1