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

Systemtic Name: [3,4,5-tris(oxidanyl)-6-propoxy-oxan-2-yl]methyl (E)-octadec-9-enoate Openeye Name: (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (3,4,5-trihydroxy-6-propoxy-2-oxanyl)methyl ester IUPAC Name: (3,4,5-trihydroxy-6-propoxyoxan-2-yl)methyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (3,4,5-trihydroxy-6-propoxy-tetrahydropyran-2-yl)methyl ester Formula: C27H50O7 MolecularWeight: 486.6817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)33-21-22-24(29)25(30)26(31)27(34-22)32-20-4-2/h11-12,22,24-27,29-31H,3-10,13-21H2,1-2H3/b12-11+