2-hexadecyl-2-(16-methylheptadecyl)-3-oxidanylidene-icosanoic acid

Systemtic Name: 2-hexadecyl-2-(16-methylheptadecyl)-3-oxidanylidene-icosanoic acid Openeye Name: 2-hexadecyl-2-(16-methylheptadecyl)-3-oxo-icosanoic acid CAS Name: 2-hexadecyl-2-(16-methylheptadecyl)-3-oxoeicosanoic acid IUPAC Name: 2-hexadecyl-2-(16-methylheptadecyl)-3-oxoicosanoic acid Traditional Name: 2-cetyl-3-keto-2-(16-methylheptadecyl)arachidic acid Formula: C54H106O3 MolecularWeight: 803.41764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC(C)C)C(=O)O

InChI

InChI=1S/C54H106O3/c1-5-7-9-11-13-15-17-19-21-24-28-32-36-40-44-48-52(55)54(53(56)57,49-45-41-37-33-29-25-20-18-16-14-12-10-8-6-2)50-46-42-38-34-30-26-22-23-27-31-35-39-43-47-51(3)4/h51H,5-50H2,1-4H3,(H,56,57)