(1S,2R)-4-bromanyl-3-ethyl-cyclohexa-3,5-diene-1,2-diol

Systemtic Name: (1S,2R)-4-bromanyl-3-ethyl-cyclohexa-3,5-diene-1,2-diol Openeye Name: (1S,2R)-4-bromo-3-ethyl-cyclohexa-3,5-diene-1,2-diol CAS Name: (1S,2R)-4-bromo-3-ethylcyclohexa-3,5-diene-1,2-diol IUPAC Name: (1S,2R)-4-bromo-3-ethylcyclohexa-3,5-diene-1,2-diol Traditional Name: (1S,2R)-4-bromo-3-ethyl-cyclohexa-3,5-diene-1,2-diol Formula: C8H11BrO2 MolecularWeight: 219.07574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(C1O)O)Br

Isomeric SMILES

CCC1=C(C=C[C@@H]([C@@H]1O)O)Br

InChI

InChI=1S/C8H11BrO2/c1-2-5-6(9)3-4-7(10)8(5)11/h3-4,7-8,10-11H,2H2,1H3/t7-,8+/m0/s1