[3-methyl-3,5-bis(oxidanyl)pentyl] 2-ethylhexanoate

Systemtic Name: [3-methyl-3,5-bis(oxidanyl)pentyl] 2-ethylhexanoate Openeye Name: (3,5-dihydroxy-3-methyl-pentyl) 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid (3,5-dihydroxy-3-methylpentyl) ester IUPAC Name: (3,5-dihydroxy-3-methylpentyl) 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid (3,5-dihydroxy-3-methyl-pentyl) ester Formula: C14H28O4 MolecularWeight: 260.36972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCCC(C)(CCO)O

Isomeric SMILES

CCCCC(CC)C(=O)OCCC(C)(CCO)O

InChI

InChI=1S/C14H28O4/c1-4-6-7-12(5-2)13(16)18-11-9-14(3,17)8-10-15/h12,15,17H,4-11H2,1-3H3