ethanoic acid; (2R,3R,4S)-2-methyl-4-oxidanyl-3-[(E)-8-oxidanyloct-1-enyl]cyclopentan-1-one

Systemtic Name: ethanoic acid; (2R,3R,4S)-2-methyl-4-oxidanyl-3-[(E)-8-oxidanyloct-1-enyl]cyclopentan-1-one Openeye Name: acetic acid; (2R,3R,4S)-4-hydroxy-3-[(E)-8-hydroxyoct-1-enyl]-2-methyl-cyclopentanone CAS Name: acetic acid; (2R,3R,4S)-4-hydroxy-3-[(E)-8-hydroxyoct-1-enyl]-2-methyl-1-cyclopentanone IUPAC Name: acetic acid; (2R,3R,4S)-4-hydroxy-3-[(E)-8-hydroxyoct-1-enyl]-2-methylcyclopentan-1-one Traditional Name: acetic acid; (2R,3R,4S)-4-hydroxy-3-[(E)-8-hydroxyoct-1-enyl]-2-methyl-cyclopentanone Formula: C16H28O5 MolecularWeight: 300.39052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC1=O)O)C=CCCCCCCO.CC(=O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H](CC1=O)O)/C=C/CCCCCCO.CC(=O)O

InChI

InChI=1S/C14H24O3.C2H4O2/c1-11-12(14(17)10-13(11)16)8-6-4-2-3-5-7-9-15;1-2(3)4/h6,8,11-12,14-15,17H,2-5,7,9-10H2,1H3;1H3,(H,3,4)/b8-6+;/t11-,12-,14+;/m1./s1