methyl 5-[(7S)-5-bromanyl-7-methyl-6-oxidanylidene-2,3-dihydrooxepin-7-yl]-2-methyl-pentanoate

Systemtic Name: methyl 5-[(7S)-5-bromanyl-7-methyl-6-oxidanylidene-2,3-dihydrooxepin-7-yl]-2-methyl-pentanoate Openeye Name: methyl 5-[(7S)-5-bromo-7-methyl-6-oxo-2,3-dihydrooxepin-7-yl]-2-methyl-pentanoate CAS Name: 5-[(7S)-5-bromo-7-methyl-6-oxo-2,3-dihydrooxepin-7-yl]-2-methylpentanoic acid methyl ester IUPAC Name: methyl 5-[(7S)-5-bromo-7-methyl-6-oxo-2,3-dihydrooxepin-7-yl]-2-methylpentanoate Traditional Name: 5-[(7S)-5-bromo-6-keto-7-methyl-2,3-dihydrooxepin-7-yl]-2-methyl-valeric acid methyl ester Formula: C14H21BrO4 MolecularWeight: 333.21814

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(=O)C(=CCCO1)Br)C)C(=O)OC

Isomeric SMILES

CC(CCC[C@]1(C(=O)C(=CCCO1)Br)C)C(=O)OC

InChI

InChI=1S/C14H21BrO4/c1-10(13(17)18-3)6-4-8-14(2)12(16)11(15)7-5-9-19-14/h7,10H,4-6,8-9H2,1-3H3/t10?,14-/m0/s1