4,5-bis(oxidanyl)pentan-2-yl hexanoate

Systemtic Name: 4,5-bis(oxidanyl)pentan-2-yl hexanoate Openeye Name: (3,4-dihydroxy-1-methyl-butyl) hexanoate CAS Name: hexanoic acid 4,5-dihydroxypentan-2-yl ester IUPAC Name: 4,5-dihydroxypentan-2-yl hexanoate Traditional Name: hexanoic acid (3,4-dihydroxy-1-methyl-butyl) ester Formula: C11H22O4 MolecularWeight: 218.28998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22O4/c1-3-4-5-6-11(14)15-9(2)7-10(13)8-12/h9-10,12-13H,3-8H2,1-2H3