[(E)-7-methyl-3-methylidene-1-oxidanyl-oct-1-enyl] propanoate

Systemtic Name: [(E)-7-methyl-3-methylidene-1-oxidanyl-oct-1-enyl] propanoate Openeye Name: [(E)-1-hydroxy-7-methyl-3-methylene-oct-1-enyl] propanoate CAS Name: propanoic acid [(E)-1-hydroxy-7-methyl-3-methyleneoct-1-enyl] ester IUPAC Name: [(E)-1-hydroxy-7-methyl-3-methylideneoct-1-enyl] propanoate Traditional Name: propionic acid [(1E)-1-hydroxy-3-isohexyl-buta-1,3-dienyl] ester Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(=CC(=C)CCCC(C)C)O

Isomeric SMILES

CCC(=O)O/C(=C/C(=C)CCCC(C)C)/O

InChI

InChI=1S/C13H22O3/c1-5-12(14)16-13(15)9-11(4)8-6-7-10(2)3/h9-10,15H,4-8H2,1-3H3/b13-9+