tris(7,8-dihexylhexadecan-7-yl) 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris(7,8-dihexylhexadecan-7-yl) 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris(1,1,2-trihexyldecyl) 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(7,8-dihexylhexadecan-7-yl) ester IUPAC Name: tris(7,8-dihexylhexadecan-7-yl) 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(1,1,2-trihexyldecyl) ester Formula: C90H176O7 MolecularWeight: 1370.35624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C90H176O7/c1-13-25-37-49-52-58-70-81(67-55-40-28-16-4)88(73-61-43-31-19-7,74-62-44-32-20-8)95-84(91)79-87(94,86(93)97-90(77-65-47-35-23-11,78-66-48-36-24-12)83(69-57-42-30-18-6)72-60-54-51-39-27-15-3)80-85(92)96-89(75-63-45-33-21-9,76-64-46-34-22-10)82(68-56-41-29-17-5)71-59-53-50-38-26-14-2/h81-83,94H,13-80H2,1-12H3