3-butyl-7-[(1R,2R)-2-oxidanylcyclohexyl]oxy-heptan-2-one

Systemtic Name: 3-butyl-7-[(1R,2R)-2-oxidanylcyclohexyl]oxy-heptan-2-one Openeye Name: 3-butyl-7-[(1R,2R)-2-hydroxycyclohexoxy]heptan-2-one CAS Name: 3-butyl-7-[(1R,2R)-2-hydroxycyclohexyl]oxy-2-heptanone IUPAC Name: 3-butyl-7-[(1R,2R)-2-hydroxycyclohexyl]oxyheptan-2-one Traditional Name: 3-butyl-7-[(1R,2R)-2-hydroxycyclohexoxy]heptan-2-one Formula: C17H32O3 MolecularWeight: 284.43418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCOC1CCCCC1O)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H32O3/c1-3-4-9-15(14(2)18)10-7-8-13-20-17-12-6-5-11-16(17)19/h15-17,19H,3-13H2,1-2H3/t15?,16-,17-/m1/s1