tris[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl] 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl] 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl] 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris[4-ethyl-2,2-bis(2-ethylhexyl)-1-oxooctyl] ester IUPAC Name: tris[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl] 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris[4-ethyl-2,2-bis(2-ethylhexyl)octanoyl] ester Formula: C84H158O10 MolecularWeight: 1328.14732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CC(CC)CCCC)C(=O)OC(=O)CC(CC(=O)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)(C(=O)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)O

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CC(CC)CCCC)C(=O)OC(=O)CC(CC(=O)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)(C(=O)OC(=O)C(CC(CC)CCCC)(CC(CC)CCCC)CC(CC)CCCC)O

InChI

InChI=1S/C84H158O10/c1-19-37-46-66(28-10)55-81(56-67(29-11)47-38-20-2,57-68(30-12)48-39-21-3)77(87)92-75(85)64-84(91,80(90)94-79(89)83(61-72(34-16)52-43-25-7,62-73(35-17)53-44-26-8)63-74(36-18)54-45-27-9)65-76(86)93-78(88)82(58-69(31-13)49-40-22-4,59-70(32-14)50-41-23-5)60-71(33-15)51-42-24-6/h66-74,91H,19-65H2,1-18H3