[2-ethyl-1,3-bis(oxidanyl)hexyl] butanoate

Systemtic Name: [2-ethyl-1,3-bis(oxidanyl)hexyl] butanoate Openeye Name: (2-ethyl-1,3-dihydroxy-hexyl) butanoate CAS Name: butanoic acid (2-ethyl-1,3-dihydroxyhexyl) ester IUPAC Name: (2-ethyl-1,3-dihydroxyhexyl) butanoate Traditional Name: butyric acid (2-ethyl-1,3-dihydroxy-hexyl) ester Formula: C12H24O4 MolecularWeight: 232.31656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)C(O)OC(=O)CCC)O

Isomeric SMILES

CCCC(C(CC)C(O)OC(=O)CCC)O

InChI

InChI=1S/C12H24O4/c1-4-7-10(13)9(6-3)12(15)16-11(14)8-5-2/h9-10,12-13,15H,4-8H2,1-3H3