methyl 2-(2-methyl-3-oxidanyl-prop-1-enylidene)hexanoate

Systemtic Name: methyl 2-(2-methyl-3-oxidanyl-prop-1-enylidene)hexanoate Openeye Name: methyl 2-(3-hydroxy-2-methyl-prop-1-enylidene)hexanoate CAS Name: 2-(3-hydroxy-2-methylprop-1-enylidene)hexanoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxy-2-methylprop-1-enylidene)hexanoate Traditional Name: 2-butyl-5-hydroxy-4-methyl-penta-2,3-dienoic acid methyl ester Formula: C11H18O3 MolecularWeight: 198.25882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C=C(C)CO)C(=O)OC

Isomeric SMILES

CCCCC(=C=C(C)CO)C(=O)OC

InChI

InChI=1S/C11H18O3/c1-4-5-6-10(11(13)14-3)7-9(2)8-12/h12H,4-6,8H2,1-3H3