heptan-2-yl 3-oxidanylbutanoate

Systemtic Name: heptan-2-yl 3-oxidanylbutanoate Openeye Name: 1-methylhexyl 3-hydroxybutanoate CAS Name: 3-hydroxybutanoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 3-hydroxybutanoate Traditional Name: 3-hydroxybutyric acid 1-methylhexyl ester Formula: C11H22O3 MolecularWeight: 202.29058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22O3/c1-4-5-6-7-10(3)14-11(13)8-9(2)12/h9-10,12H,4-8H2,1-3H3