trioctadecan-9-yl 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate

Systemtic Name: trioctadecan-9-yl 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate Openeye Name: tris(1-octyldecyl) 2-hydroxy-4-oxo-pentane-1,2,3-tricarboxylate CAS Name: 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid trioctadecan-9-yl ester IUPAC Name: trioctadecan-9-yl 2-hydroxy-4-oxopentane-1,2,3-tricarboxylate Traditional Name: 2-hydroxy-4-keto-pentane-1,2,3-tricarboxylic acid tris(1-octyldecyl) ester Formula: C62H118O8 MolecularWeight: 991.59552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)CC(C(C(=O)C)C(=O)OC(CCCCCCCC)CCCCCCCCC)(C(=O)OC(CCCCCCCC)CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)CC(C(C(=O)C)C(=O)OC(CCCCCCCC)CCCCCCCCC)(C(=O)OC(CCCCCCCC)CCCCCCCCC)O

InChI

InChI=1S/C62H118O8/c1-8-14-20-26-32-38-42-48-55(47-41-35-29-23-17-11-4)68-58(64)53-62(67,61(66)70-57(51-45-37-31-25-19-13-6)52-46-40-34-28-22-16-10-3)59(54(7)63)60(65)69-56(49-43-36-30-24-18-12-5)50-44-39-33-27-21-15-9-2/h55-57,59,67H,8-53H2,1-7H3