17-methyl-2-(14-methylpentadecoxy)-3-(14-methylpentadecyl)octadecane-1,2,3-tricarboxylic acid

Systemtic Name: 17-methyl-2-(14-methylpentadecoxy)-3-(14-methylpentadecyl)octadecane-1,2,3-tricarboxylic acid Openeye Name: 17-methyl-2-(14-methylpentadecoxy)-3-(14-methylpentadecyl)octadecane-1,2,3-tricarboxylic acid CAS Name: 17-methyl-2-(14-methylpentadecoxy)-3-(14-methylpentadecyl)octadecane-1,2,3-tricarboxylic acid IUPAC Name: 17-methyl-2-(14-methylpentadecoxy)-3-(14-methylpentadecyl)octadecane-1,2,3-tricarboxylic acid Traditional Name: 17-methyl-2-(14-methylpentadecoxy)-3-(14-methylpentadecyl)octadecane-1,2,3-tricarboxylic acid Formula: C54H104O7 MolecularWeight: 865.39936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC(CCCCCCCCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCC(CCCCCCCCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C54H104O7/c1-47(2)40-34-28-22-16-10-7-13-19-25-31-37-43-53(51(57)58,44-38-32-26-20-14-8-11-17-23-29-35-41-48(3)4)54(52(59)60,46-50(55)56)61-45-39-33-27-21-15-9-12-18-24-30-36-42-49(5)6/h47-49H,7-46H2,1-6H3,(H,55,56)(H,57,58)(H,59,60)