[3,4-di(hexadecanoyloxy)-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-2-yl] hexadecanoate

Systemtic Name: [3,4-di(hexadecanoyloxy)-5,6-bis(oxidanyl)-1-oxidanylidene-hexan-2-yl] hexadecanoate Openeye Name: [1-formyl-2,3-di(hexadecanoyloxy)-4,5-dihydroxy-pentyl] hexadecanoate CAS Name: hexadecanoic acid [5,6-dihydroxy-1-oxo-3,4-bis(1-oxohexadecoxy)hexan-2-yl] ester IUPAC Name: [3,4-di(hexadecanoyloxy)-5,6-dihydroxy-1-oxohexan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-formyl-2,3-di(hexadecanoyloxy)-4,5-dihydroxy-pentyl] ester Formula: C54H102O9 MolecularWeight: 895.38228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C=O)C(C(C(CO)O)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C=O)C(C(C(CO)O)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H102O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50(58)61-49(47-56)54(63-52(60)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53(48(57)46-55)62-51(59)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h47-49,53-55,57H,4-46H2,1-3H3