(3E,5S,13R)-13-methyl-5-oxidanyl-1-oxacyclotridec-3-en-2-one

Systemtic Name: (3E,5S,13R)-13-methyl-5-oxidanyl-1-oxacyclotridec-3-en-2-one Openeye Name: (3E,5S,13R)-5-hydroxy-13-methyl-1-oxacyclotridec-3-en-2-one CAS Name: (3E,5S,13R)-5-hydroxy-13-methyl-1-oxacyclotridec-3-en-2-one IUPAC Name: (3E,5S,13R)-5-hydroxy-13-methyl-1-oxacyclotridec-3-en-2-one Traditional Name: (3E,5S,13R)-5-hydroxy-13-methyl-1-oxacyclotridec-3-en-2-one Formula: C13H22O3 MolecularWeight: 226.31198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCCCC(C=CC(=O)O1)O

Isomeric SMILES

C[C@@H]1CCCCCCC[C@@H](/C=C/C(=O)O1)O

InChI

InChI=1S/C13H22O3/c1-11-7-5-3-2-4-6-8-12(14)9-10-13(15)16-11/h9-12,14H,2-8H2,1H3/b10-9+/t11-,12+/m1/s1