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

Systemtic Name: [3,4,5-tris(oxidanyl)-6-propan-2-yloxy-oxan-2-yl]methyl docosanoate Openeye Name: (3,4,5-trihydroxy-6-isopropoxy-tetrahydropyran-2-yl)methyl docosanoate CAS Name: docosanoic acid (3,4,5-trihydroxy-6-propan-2-yloxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl)methyl docosanoate Traditional Name: behenic acid (3,4,5-trihydroxy-6-isopropoxy-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)OC(C)C)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H60O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(32)36-24-26-28(33)29(34)30(35)31(38-26)37-25(2)3/h25-26,28-31,33-35H,4-24H2,1-3H3