21-methyl-2-(18-methylnonadecoxy)-3-(18-methylnonadecyl)docosane-1,2,3-tricarboxylic acid

Systemtic Name: 21-methyl-2-(18-methylnonadecoxy)-3-(18-methylnonadecyl)docosane-1,2,3-tricarboxylic acid Openeye Name: 21-methyl-2-(18-methylnonadecoxy)-3-(18-methylnonadecyl)docosane-1,2,3-tricarboxylic acid CAS Name: 21-methyl-2-(18-methylnonadecoxy)-3-(18-methylnonadecyl)docosane-1,2,3-tricarboxylic acid IUPAC Name: 21-methyl-2-(18-methylnonadecoxy)-3-(18-methylnonadecyl)docosane-1,2,3-tricarboxylic acid Traditional Name: 21-methyl-2-(18-methylnonadecoxy)-3-(18-methylnonadecyl)docosane-1,2,3-tricarboxylic acid Formula: C66H128O7 MolecularWeight: 1033.71832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCCCCCC(C)C

InChI

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