[6-butoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-octadec-9-enoate

Systemtic Name: [6-butoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (E)-octadec-9-enoate Openeye Name: (6-butoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)methyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (6-butoxy-3,4,5-trihydroxy-2-oxanyl)methyl ester IUPAC Name: (6-butoxy-3,4,5-trihydroxyoxan-2-yl)methyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (6-butoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)methyl ester Formula: C28H52O7 MolecularWeight: 500.70828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OCCCC)O)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC1C(C(C(C(O1)OCCCC)O)O)O

InChI

InChI=1S/C28H52O7/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(29)34-22-23-25(30)26(31)27(32)28(35-23)33-21-6-4-2/h12-13,23,25-28,30-32H,3-11,14-22H2,1-2H3/b13-12+