methyl 2-butyl-4,5-dimethyl-5-oxidanyl-hexa-2,3-dienoate

Systemtic Name: methyl 2-butyl-4,5-dimethyl-5-oxidanyl-hexa-2,3-dienoate Openeye Name: methyl 2-butyl-5-hydroxy-4,5-dimethyl-hexa-2,3-dienoate CAS Name: 2-butyl-5-hydroxy-4,5-dimethylhexa-2,3-dienoic acid methyl ester IUPAC Name: methyl 2-butyl-5-hydroxy-4,5-dimethylhexa-2,3-dienoate Traditional Name: 2-butyl-5-hydroxy-4,5-dimethyl-hexa-2,3-dienoic acid methyl ester Formula: C13H22O3 MolecularWeight: 226.31198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O3/c1-6-7-8-11(12(14)16-5)9-10(2)13(3,4)15/h15H,6-8H2,1-5H3