2-methylidene-4-[(E)-4-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalen-1-one

Systemtic Name: 2-methylidene-4-[(E)-4-methyl-3-oxidanyl-oct-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalen-1-one Openeye Name: 5-hydroxy-4-[(E)-3-hydroxy-4-methyl-oct-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one CAS Name: 5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one IUPAC Name: 5-hydroxy-4-[(E)-3-hydroxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-one Traditional Name: 5-hydroxy-4-[(E)-3-hydroxy-4-methyl-oct-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one Formula: C18H28O3 MolecularWeight: 292.41312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C=CC1C(CC2C1CC(=C)C2=O)O)O

Isomeric SMILES

CCCCC(C)C(/C=C/C1C(CC2C1CC(=C)C2=O)O)O

InChI

InChI=1S/C18H28O3/c1-4-5-6-11(2)16(19)8-7-13-14-9-12(3)18(21)15(14)10-17(13)20/h7-8,11,13-17,19-20H,3-6,9-10H2,1-2H3/b8-7+