tris(14-methylpentadecyl) 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tris(14-methylpentadecyl) 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(14-methylpentadecyl) ester IUPAC Name: tris(14-methylpentadecyl) 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-hydroxypropane-1,2,3-tricarboxylic acid tris(14-methylpentadecyl) ester Formula: C54H104O7 MolecularWeight: 865.39936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCC(C)C)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCC(C)C)(C(=O)OCCCCCCCCCCCCCC(C)C)O

InChI

InChI=1S/C54H104O7/c1-48(2)40-34-28-22-16-10-7-13-19-25-31-37-43-59-51(55)46-54(58,53(57)61-45-39-33-27-21-15-9-12-18-24-30-36-42-50(5)6)47-52(56)60-44-38-32-26-20-14-8-11-17-23-29-35-41-49(3)4/h48-50,58H,7-47H2,1-6H3