methyl 2-ethanoyl-3-[(E)-3-oxidanylprop-1-enyl]octanoate

Systemtic Name: methyl 2-ethanoyl-3-[(E)-3-oxidanylprop-1-enyl]octanoate Openeye Name: methyl 2-acetyl-3-[(E)-3-hydroxyprop-1-enyl]octanoate CAS Name: 2-acetyl-3-[(E)-3-hydroxyprop-1-enyl]octanoic acid methyl ester IUPAC Name: methyl 2-acetyl-3-[(E)-3-hydroxyprop-1-enyl]octanoate Traditional Name: (E)-2-acetyl-3-amyl-6-hydroxy-hex-4-enoic acid methyl ester Formula: C14H24O4 MolecularWeight: 256.33796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CCO)C(C(=O)C)C(=O)OC

Isomeric SMILES

CCCCCC(/C=C/CO)C(C(=O)C)C(=O)OC

InChI

InChI=1S/C14H24O4/c1-4-5-6-8-12(9-7-10-15)13(11(2)16)14(17)18-3/h7,9,12-13,15H,4-6,8,10H2,1-3H3/b9-7+