3-ethylpentan-3-yl 6-(5-bicyclo[2.2.1]hept-2-enyl)-3-methyl-3-oxidanyl-hexanoate

Systemtic Name: 3-ethylpentan-3-yl 6-(5-bicyclo[2.2.1]hept-2-enyl)-3-methyl-3-oxidanyl-hexanoate Openeye Name: 1,1-diethylpropyl 6-(5-bicyclo[2.2.1]hept-2-enyl)-3-hydroxy-3-methyl-hexanoate CAS Name: 6-(5-bicyclo[2.2.1]hept-2-enyl)-3-hydroxy-3-methylhexanoic acid 3-ethylpentan-3-yl ester IUPAC Name: 3-ethylpentan-3-yl 6-(5-bicyclo[2.2.1]hept-2-enyl)-3-hydroxy-3-methylhexanoate Traditional Name: 6-(5-bicyclo[2.2.1]hept-2-enyl)-3-hydroxy-3-methyl-hexanoic acid 1,1-diethylpropyl ester Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)OC(=O)CC(C)(CCCC1CC2CC1C=C2)O

Isomeric SMILES

CCC(CC)(CC)OC(=O)CC(C)(CCCC1CC2CC1C=C2)O

InChI

InChI=1S/C21H36O3/c1-5-21(6-2,7-3)24-19(22)15-20(4,23)12-8-9-17-13-16-10-11-18(17)14-16/h10-11,16-18,23H,5-9,12-15H2,1-4H3