[3,4,5-tris(oxidanyl)-6-propoxy-oxan-2-yl]methyl hexadecanoate

Systemtic Name: [3,4,5-tris(oxidanyl)-6-propoxy-oxan-2-yl]methyl hexadecanoate Openeye Name: (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methyl hexadecanoate CAS Name: hexadecanoic acid (3,4,5-trihydroxy-6-propoxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5-trihydroxy-6-propoxyoxan-2-yl)methyl hexadecanoate Traditional Name: palmitic acid (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methyl ester Formula: C25H48O7 MolecularWeight: 460.64442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OCCC)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OCCC)O)O)O

InChI

InChI=1S/C25H48O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)31-19-20-22(27)23(28)24(29)25(32-20)30-18-4-2/h20,22-25,27-29H,3-19H2,1-2H3