methyl 5-methyl-2-(2-methyl-3-oxidanyl-prop-1-enylidene)-3-oxidanyl-hexanoate

Systemtic Name: methyl 5-methyl-2-(2-methyl-3-oxidanyl-prop-1-enylidene)-3-oxidanyl-hexanoate Openeye Name: methyl 3-hydroxy-2-(3-hydroxy-2-methyl-prop-1-enylidene)-5-methyl-hexanoate CAS Name: 3-hydroxy-2-(3-hydroxy-2-methylprop-1-enylidene)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(3-hydroxy-2-methylprop-1-enylidene)-5-methylhexanoate Traditional Name: 5-hydroxy-2-(1-hydroxy-3-methyl-butyl)-4-methyl-penta-2,3-dienoic acid methyl ester Formula: C12H20O4 MolecularWeight: 228.2848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C=C(C)CO)C(=O)OC)O

Isomeric SMILES

CC(C)CC(C(=C=C(C)CO)C(=O)OC)O

InChI

InChI=1S/C12H20O4/c1-8(2)5-11(14)10(12(15)16-4)6-9(3)7-13/h8,11,13-14H,5,7H2,1-4H3