(2S)-3-bromanyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2H-furan-5-one

Systemtic Name: (2S)-3-bromanyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2H-furan-5-one Openeye Name: (2S)-3-bromo-2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2H-furan-5-one CAS Name: (2S)-3-bromo-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one IUPAC Name: (2S)-3-bromo-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one Traditional Name: (2S)-3-bromo-2-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2H-furan-5-one Formula: C14H21BrO3 MolecularWeight: 317.21874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2C(=CC(=O)O2)Br)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[C@@H]2C(=CC(=O)O2)Br)C(C)C

InChI

InChI=1S/C14H21BrO3/c1-8(2)10-5-4-9(3)6-12(10)17-14-11(15)7-13(16)18-14/h7-10,12,14H,4-6H2,1-3H3/t9-,10+,12-,14+/m1/s1