19-methyl-2-(16-methylheptadecoxy)-3-(16-methylheptadecyl)icosane-1,2,3-tricarboxylic acid

Systemtic Name: 19-methyl-2-(16-methylheptadecoxy)-3-(16-methylheptadecyl)icosane-1,2,3-tricarboxylic acid Openeye Name: 19-methyl-2-(16-methylheptadecoxy)-3-(16-methylheptadecyl)icosane-1,2,3-tricarboxylic acid CAS Name: 19-methyl-2-(16-methylheptadecoxy)-3-(16-methylheptadecyl)eicosane-1,2,3-tricarboxylic acid IUPAC Name: 19-methyl-2-(16-methylheptadecoxy)-3-(16-methylheptadecyl)icosane-1,2,3-tricarboxylic acid Traditional Name: 19-methyl-2-(16-methylheptadecoxy)-3-(16-methylheptadecyl)eicosane-1,2,3-tricarboxylic acid Formula: C60H116O7 MolecularWeight: 949.55884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C60H116O7/c1-53(2)46-40-34-28-22-16-10-7-13-19-25-31-37-43-49-59(57(63)64,50-44-38-32-26-20-14-8-11-17-23-29-35-41-47-54(3)4)60(58(65)66,52-56(61)62)67-51-45-39-33-27-21-15-9-12-18-24-30-36-42-48-55(5)6/h53-55H,7-52H2,1-6H3,(H,61,62)(H,63,64)(H,65,66)