[3,4,5-tris(oxidanyl)-6-(1-oxidanylpropyl)oxan-2-yl] octadecanoate

Systemtic Name: [3,4,5-tris(oxidanyl)-6-(1-oxidanylpropyl)oxan-2-yl] octadecanoate Openeye Name: [3,4,5-trihydroxy-6-(1-hydroxypropyl)tetrahydropyran-2-yl] octadecanoate CAS Name: octadecanoic acid [3,4,5-trihydroxy-6-(1-hydroxypropyl)-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(1-hydroxypropyl)oxan-2-yl] octadecanoate Traditional Name: stearic acid [3,4,5-trihydroxy-6-(1-hydroxypropyl)tetrahydropyran-2-yl] ester Formula: C26H50O7 MolecularWeight: 474.671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(O1)C(CC)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(O1)C(CC)O)O)O)O

InChI

InChI=1S/C26H50O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(28)32-26-24(31)22(29)23(30)25(33-26)20(27)4-2/h20,22-27,29-31H,3-19H2,1-2H3