(2,2,4-trimethyl-3-oxidanyl-pentyl) heptanoate

Systemtic Name: (2,2,4-trimethyl-3-oxidanyl-pentyl) heptanoate Openeye Name: (3-hydroxy-2,2,4-trimethyl-pentyl) heptanoate CAS Name: heptanoic acid (3-hydroxy-2,2,4-trimethylpentyl) ester IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) heptanoate Traditional Name: enanthic acid (3-hydroxy-2,2,4-trimethyl-pentyl) ester Formula: C15H30O3 MolecularWeight: 258.3969

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC(C)(C)C(C(C)C)O

Isomeric SMILES

CCCCCCC(=O)OCC(C)(C)C(C(C)C)O

InChI

InChI=1S/C15H30O3/c1-6-7-8-9-10-13(16)18-11-15(4,5)14(17)12(2)3/h12,14,17H,6-11H2,1-5H3