2-methyl-3-octacosan-12-yloxy-2-octanoyloxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-methyl-3-octacosan-12-yloxy-2-octanoyloxy-3-oxidanylidene-propanoic acid Openeye Name: 2-methyl-2-octanoyloxy-3-oxo-3-(1-undecylheptadecoxy)propanoic acid CAS Name: 2-methyl-3-octacosan-12-yloxy-3-oxo-2-(1-oxooctoxy)propanoic acid IUPAC Name: 2-methyl-3-octacosan-12-yloxy-2-octanoyloxy-3-oxopropanoic acid Traditional Name: 2-caprylyloxy-3-keto-2-methyl-3-(1-undecylheptadecoxy)propionic acid Formula: C40H76O6 MolecularWeight: 653.02784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCC)OC(=O)C(C)(C(=O)O)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCC)OC(=O)C(C)(C(=O)O)OC(=O)CCCCCCC

InChI

InChI=1S/C40H76O6/c1-5-8-11-14-16-18-19-20-21-22-24-26-29-31-34-36(33-30-28-25-23-17-15-12-9-6-2)45-39(44)40(4,38(42)43)46-37(41)35-32-27-13-10-7-3/h36H,5-35H2,1-4H3,(H,42,43)