(8S)-8-[(E,3R)-4,7-dimethyl-3-oxidanyl-oct-4-en-2-yl]oxocan-2-one

Systemtic Name: (8S)-8-[(E,3R)-4,7-dimethyl-3-oxidanyl-oct-4-en-2-yl]oxocan-2-one Openeye Name: (8S)-8-[(E,2R)-2-hydroxy-1,3,6-trimethyl-hept-3-enyl]oxocan-2-one CAS Name: (8S)-8-[(E,3R)-3-hydroxy-4,7-dimethyloct-4-en-2-yl]-2-oxocanone IUPAC Name: (8S)-8-[(E,3R)-3-hydroxy-4,7-dimethyloct-4-en-2-yl]oxocan-2-one Traditional Name: (8S)-8-[(E,2R)-2-hydroxy-1,3,6-trimethyl-hept-3-enyl]oxocan-2-one Formula: C17H30O3 MolecularWeight: 282.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC=C(C)C(C(C)C1CCCCCC(=O)O1)O

Isomeric SMILES

CC(C)C/C=C(\C)/[C@@H](C(C)[C@@H]1CCCCCC(=O)O1)O

InChI

InChI=1S/C17H30O3/c1-12(2)10-11-13(3)17(19)14(4)15-8-6-5-7-9-16(18)20-15/h11-12,14-15,17,19H,5-10H2,1-4H3/b13-11+/t14?,15-,17-/m0/s1