[(3S,5R)-5-(hydroxymethyl)-2,6-dimethyl-2-oxidanyl-hept-6-en-3-yl] ethanoate

Systemtic Name: [(3S,5R)-5-(hydroxymethyl)-2,6-dimethyl-2-oxidanyl-hept-6-en-3-yl] ethanoate Openeye Name: [(1S,3R)-3-(hydroxymethyl)-1-(1-hydroxy-1-methyl-ethyl)-4-methyl-pent-4-enyl] acetate CAS Name: acetic acid [(3S,5R)-2-hydroxy-5-(hydroxymethyl)-2,6-dimethylhept-6-en-3-yl] ester IUPAC Name: [(3S,5R)-2-hydroxy-5-(hydroxymethyl)-2,6-dimethylhept-6-en-3-yl] acetate Traditional Name: acetic acid [(1S,3R)-1-(1-hydroxy-1-methyl-ethyl)-4-methyl-3-methylol-pent-4-enyl] ester Formula: C12H22O4 MolecularWeight: 230.30068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC(C(C)(C)O)OC(=O)C)CO

Isomeric SMILES

CC(=C)[C@@H](C[C@@H](C(C)(C)O)OC(=O)C)CO

InChI

InChI=1S/C12H22O4/c1-8(2)10(7-13)6-11(12(4,5)15)16-9(3)14/h10-11,13,15H,1,6-7H2,2-5H3/t10-,11-/m0/s1