heptanoic acid; 2-[(E)-3-oxidanyloct-1-enyl]cyclopentan-1-one

Systemtic Name: heptanoic acid; 2-[(E)-3-oxidanyloct-1-enyl]cyclopentan-1-one Openeye Name: heptanoic acid; 2-[(E)-3-hydroxyoct-1-enyl]cyclopentanone CAS Name: heptanoic acid; 2-[(E)-3-hydroxyoct-1-enyl]-1-cyclopentanone IUPAC Name: heptanoic acid; 2-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-one Traditional Name: enanthic acid; 2-[(E)-3-hydroxyoct-1-enyl]cyclopentanone Formula: C20H36O4 MolecularWeight: 340.49744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CCCCCC(C=CC1CCCC1=O)O

Isomeric SMILES

CCCCCCC(=O)O.CCCCCC(/C=C/C1CCCC1=O)O

InChI

InChI=1S/C13H22O2.C7H14O2/c1-2-3-4-7-12(14)10-9-11-6-5-8-13(11)15;1-2-3-4-5-6-7(8)9/h9-12,14H,2-8H2,1H3;2-6H2,1H3,(H,8,9)/b10-9+;