(Z)-3-[(1S,3S,4R)-3-bromanyl-4-methyl-4-oxidanyl-cyclohexyl]but-2-enal

Systemtic Name: (Z)-3-[(1S,3S,4R)-3-bromanyl-4-methyl-4-oxidanyl-cyclohexyl]but-2-enal Openeye Name: (Z)-3-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methyl-cyclohexyl]but-2-enal CAS Name: (Z)-3-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methylcyclohexyl]-2-butenal IUPAC Name: (Z)-3-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methylcyclohexyl]but-2-enal Traditional Name: (Z)-3-[(1S,3S,4R)-3-bromo-4-hydroxy-4-methyl-cyclohexyl]but-2-enal Formula: C11H17BrO2 MolecularWeight: 261.15548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=O)C1CCC(C(C1)Br)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C11H17BrO2/c1-8(4-6-13)9-3-5-11(2,14)10(12)7-9/h4,6,9-10,14H,3,5,7H2,1-2H3/b8-4-/t9-,10-,11+/m0/s1