(5R,6S)-2-bromanyl-3-ethoxy-5,6-dimethyl-6-(3-oxidanylidenebutyl)cyclohex-2-en-1-one

Systemtic Name: (5R,6S)-2-bromanyl-3-ethoxy-5,6-dimethyl-6-(3-oxidanylidenebutyl)cyclohex-2-en-1-one Openeye Name: (5R,6S)-2-bromo-3-ethoxy-5,6-dimethyl-6-(3-oxobutyl)cyclohex-2-en-1-one CAS Name: (5R,6S)-2-bromo-3-ethoxy-5,6-dimethyl-6-(3-oxobutyl)-1-cyclohex-2-enone IUPAC Name: (5R,6S)-2-bromo-3-ethoxy-5,6-dimethyl-6-(3-oxobutyl)cyclohex-2-en-1-one Traditional Name: (5R,6S)-2-bromo-3-ethoxy-6-(3-ketobutyl)-5,6-dimethyl-cyclohex-2-en-1-one Formula: C14H21BrO3 MolecularWeight: 317.21874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)C(C(C1)C)(C)CCC(=O)C)Br

Isomeric SMILES

CCOC1=C(C(=O)[C@@]([C@@H](C1)C)(C)CCC(=O)C)Br

InChI

InChI=1S/C14H21BrO3/c1-5-18-11-8-9(2)14(4,7-6-10(3)16)13(17)12(11)15/h9H,5-8H2,1-4H3/t9-,14+/m1/s1