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

Systemtic Name: [3,4,5-tris(oxidanyl)-6-propoxy-oxan-2-yl]methyl docosanoate Openeye Name: (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methyl docosanoate CAS Name: docosanoic acid (3,4,5-trihydroxy-6-propoxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5-trihydroxy-6-propoxyoxan-2-yl)methyl docosanoate Traditional Name: behenic acid (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methyl ester Formula: C31H60O7 MolecularWeight: 544.8039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H60O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(32)37-25-26-28(33)29(34)30(35)31(38-26)36-24-4-2/h26,28-31,33-35H,3-25H2,1-2H3