tris(9,10-dioctylicosan-9-yl) 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris(9,10-dioctylicosan-9-yl) 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris(1,1,2-trioctyldodecyl) 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(9,10-dioctyleicosan-9-yl) ester IUPAC Name: tris(9,10-dioctylicosan-9-yl) 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(1,1,2-trioctyldodecyl) ester Formula: C114H224O7 MolecularWeight: 1706.99416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C114H224O7/c1-13-25-37-49-61-64-70-82-93-105(91-79-67-52-40-28-16-4)112(97-85-73-55-43-31-19-7,98-86-74-56-44-32-20-8)119-108(115)103-111(118,110(117)121-114(101-89-77-59-47-35-23-11,102-90-78-60-48-36-24-12)107(95-81-69-54-42-30-18-6)96-84-72-66-63-51-39-27-15-3)104-109(116)120-113(99-87-75-57-45-33-21-9,100-88-76-58-46-34-22-10)106(92-80-68-53-41-29-17-5)94-83-71-65-62-50-38-26-14-2/h105-107,118H,13-104H2,1-12H3