methyl (E)-7-bromanyl-5-methyl-5-oxidanyl-hept-6-enoate

Systemtic Name: methyl (E)-7-bromanyl-5-methyl-5-oxidanyl-hept-6-enoate Openeye Name: methyl (E)-7-bromo-5-hydroxy-5-methyl-hept-6-enoate CAS Name: (E)-7-bromo-5-hydroxy-5-methyl-6-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-bromo-5-hydroxy-5-methylhept-6-enoate Traditional Name: (E)-7-bromo-5-hydroxy-5-methyl-hept-6-enoic acid methyl ester Formula: C9H15BrO3 MolecularWeight: 251.1176

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC)(C=CBr)O

Isomeric SMILES

CC(CCCC(=O)OC)(/C=C/Br)O

InChI

InChI=1S/C9H15BrO3/c1-9(12,6-7-10)5-3-4-8(11)13-2/h6-7,12H,3-5H2,1-2H3/b7-6+