(1R,3S,6S)-6-butyl-3-methyl-cyclohex-4-ene-1,3-diol

Systemtic Name: (1R,3S,6S)-6-butyl-3-methyl-cyclohex-4-ene-1,3-diol Openeye Name: (1R,3S,6S)-6-butyl-3-methyl-cyclohex-4-ene-1,3-diol CAS Name: (1R,3S,6S)-6-butyl-3-methylcyclohex-4-ene-1,3-diol IUPAC Name: (1R,3S,6S)-6-butyl-3-methylcyclohex-4-ene-1,3-diol Traditional Name: (1R,3S,6S)-6-butyl-3-methyl-cyclohex-4-ene-1,3-diol Formula: C11H20O2 MolecularWeight: 184.2753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CC(CC1O)(C)O

Isomeric SMILES

CCCC[C@H]1C=C[C@@](C[C@H]1O)(C)O

InChI

InChI=1S/C11H20O2/c1-3-4-5-9-6-7-11(2,13)8-10(9)12/h6-7,9-10,12-13H,3-5,8H2,1-2H3/t9-,10+,11+/m0/s1