3-icosan-9-yl-2-icosan-9-yloxy-4-octyl-pentadecane-1,2,3-tricarboxylate

Systemtic Name: 3-icosan-9-yl-2-icosan-9-yloxy-4-octyl-pentadecane-1,2,3-tricarboxylate Openeye Name: 4-octyl-2-(1-octyldodecoxy)-3-(1-octyldodecyl)pentadecane-1,2,3-tricarboxylate CAS Name: 3-eicosan-9-yl-2-eicosan-9-yloxy-4-octylpentadecane-1,2,3-tricarboxylate IUPAC Name: 3-icosan-9-yl-2-icosan-9-yloxy-4-octylpentadecane-1,2,3-tricarboxylate Traditional Name: 4-octyl-2-(1-octyldodecoxy)-3-(1-octyldodecyl)pentadecane-1,2,3-tricarboxylate Formula: C66H125O7-3 MolecularWeight: 1030.6945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)C(C(CCCCCCCC)CCCCCCCCCCC)(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])OC(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)C(C(CCCCCCCC)CCCCCCCCCCC)(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])OC(CCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C66H128O7/c1-7-13-19-25-31-34-37-42-48-54-59(52-46-40-28-22-16-10-4)66(64(71)72,60(53-47-41-29-23-17-11-5)55-49-43-38-35-32-26-20-14-8-2)65(63(69)70,58-62(67)68)73-61(56-50-44-30-24-18-12-6)57-51-45-39-36-33-27-21-15-9-3/h59-61H,7-58H2,1-6H3,(H,67,68)(H,69,70)(H,71,72)/p-3