[5-hexadecoxy-2,3,4-tris(oxidanyl)pentyl] butanoate

Systemtic Name: [5-hexadecoxy-2,3,4-tris(oxidanyl)pentyl] butanoate Openeye Name: (5-hexadecoxy-2,3,4-trihydroxy-pentyl) butanoate CAS Name: butanoic acid (5-hexadecoxy-2,3,4-trihydroxypentyl) ester IUPAC Name: (5-hexadecoxy-2,3,4-trihydroxypentyl) butanoate Traditional Name: butyric acid (5-cetyloxy-2,3,4-trihydroxy-pentyl) ester Formula: C25H50O6 MolecularWeight: 446.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C(C(COC(=O)CCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C(C(COC(=O)CCC)O)O)O

InChI

InChI=1S/C25H50O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-20-22(26)25(29)23(27)21-31-24(28)18-4-2/h22-23,25-27,29H,3-21H2,1-2H3