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

Systemtic Name: [6-(hydroxymethyl)-2-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] (E)-octadec-9-enoate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-tetrahydropyran-2-yl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (3,4,5-trihydroxy-2-methyl-6-methylol-tetrahydropyran-2-yl) ester Formula: C25H46O7 MolecularWeight: 458.62854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC1(C(C(C(C(O1)CO)O)O)O)C

InChI

InChI=1S/C25H46O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(27)32-25(2)24(30)23(29)22(28)20(19-26)31-25/h10-11,20,22-24,26,28-30H,3-9,12-19H2,1-2H3/b11-10+