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

Systemtic Name: [6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl docosanoate Openeye Name: (3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl docosanoate CAS Name: docosanoic acid (3,4,5-trihydroxy-6-methoxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl docosanoate Traditional Name: behenic acid (3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methyl ester Formula: C29H56O7 MolecularWeight: 516.75074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H56O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(30)35-23-24-26(31)27(32)28(33)29(34-2)36-24/h24,26-29,31-33H,3-23H2,1-2H3