(3-oxidanyl-2-pentyl-nonyl) heptanoate

Systemtic Name: (3-oxidanyl-2-pentyl-nonyl) heptanoate Openeye Name: (3-hydroxy-2-pentyl-nonyl) heptanoate CAS Name: heptanoic acid (3-hydroxy-2-pentylnonyl) ester IUPAC Name: (3-hydroxy-2-pentylnonyl) heptanoate Traditional Name: enanthic acid (2-amyl-3-hydroxy-nonyl) ester Formula: C21H42O3 MolecularWeight: 342.55638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCC)COC(=O)CCCCCC)O

Isomeric SMILES

CCCCCCC(C(CCCCC)COC(=O)CCCCCC)O

InChI

InChI=1S/C21H42O3/c1-4-7-10-13-16-20(22)19(15-12-9-6-3)18-24-21(23)17-14-11-8-5-2/h19-20,22H,4-18H2,1-3H3