[2-methoxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl] octadecanoate

Systemtic Name: [2-methoxy-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl] octadecanoate Openeye Name: [2,3,4-trihydroxy-1-(1-methoxy-2-oxo-ethyl)butyl] octadecanoate CAS Name: octadecanoic acid (4,5,6-trihydroxy-2-methoxy-1-oxohexan-3-yl) ester IUPAC Name: (4,5,6-trihydroxy-2-methoxy-1-oxohexan-3-yl) octadecanoate Traditional Name: stearic acid [2,3,4-trihydroxy-1-(2-keto-1-methoxy-ethyl)butyl] ester Formula: C25H48O7 MolecularWeight: 460.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C(C=O)OC)C(C(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C(C=O)OC)C(C(CO)O)O

InChI

InChI=1S/C25H48O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29)32-25(22(20-27)31-2)24(30)21(28)19-26/h20-22,24-26,28,30H,3-19H2,1-2H3