(2S,3S,4E)-4-(2-bromanylcyclohex-2-en-1-ylidene)-2,3-dimethyl-butanoic acid

Systemtic Name: (2S,3S,4E)-4-(2-bromanylcyclohex-2-en-1-ylidene)-2,3-dimethyl-butanoic acid Openeye Name: (2S,3S,4E)-4-(2-bromocyclohex-2-en-1-ylidene)-2,3-dimethyl-butanoic acid CAS Name: (2S,3S,4E)-4-(2-bromo-1-cyclohex-2-enylidene)-2,3-dimethylbutanoic acid IUPAC Name: (2S,3S,4E)-4-(2-bromocyclohex-2-en-1-ylidene)-2,3-dimethylbutanoic acid Traditional Name: (2S,3S,4E)-4-(2-bromocyclohex-2-en-1-ylidene)-2,3-dimethyl-butyric acid Formula: C12H17BrO2 MolecularWeight: 273.16618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=C1CCCC=C1Br)C(C)C(=O)O

Isomeric SMILES

C[C@@H](/C=C/1\CCCC=C1Br)[C@H](C)C(=O)O

InChI

InChI=1S/C12H17BrO2/c1-8(9(2)12(14)15)7-10-5-3-4-6-11(10)13/h6-9H,3-5H2,1-2H3,(H,14,15)/b10-7+/t8-,9-/m0/s1