5-oxidanylhexan-2-yl heptanoate

Systemtic Name: 5-oxidanylhexan-2-yl heptanoate Openeye Name: (4-hydroxy-1-methyl-pentyl) heptanoate CAS Name: heptanoic acid 5-hydroxyhexan-2-yl ester IUPAC Name: 5-hydroxyhexan-2-yl heptanoate Traditional Name: enanthic acid (4-hydroxy-1-methyl-pentyl) ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)CCC(C)O

Isomeric SMILES

CCCCCCC(=O)OC(C)CCC(C)O

InChI

InChI=1S/C13H26O3/c1-4-5-6-7-8-13(15)16-12(3)10-9-11(2)14/h11-12,14H,4-10H2,1-3H3