[2-[(2-methyl-2-oxidanyl-3-oxidanylidene-octadecanoyl)oxymethyl]-2-[[(E)-octadec-9-enoyl]oxymethyl]butyl] 2-methyl-2-oxidanyl-3-oxidanylidene-octadecanoate

Systemtic Name: [2-[(2-methyl-2-oxidanyl-3-oxidanylidene-octadecanoyl)oxymethyl]-2-[[(E)-octadec-9-enoyl]oxymethyl]butyl] 2-methyl-2-oxidanyl-3-oxidanylidene-octadecanoate Openeye Name: [2-[(2-hydroxy-2-methyl-3-oxo-octadecanoyl)oxymethyl]-2-[[(E)-octadec-9-enoyl]oxymethyl]butyl] 2-hydroxy-2-methyl-3-oxo-octadecanoate CAS Name: 2-hydroxy-2-methyl-3-oxooctadecanoic acid [2-[(2-hydroxy-2-methyl-1,3-dioxooctadecoxy)methyl]-2-[[(E)-1-oxooctadec-9-enoxy]methyl]butyl] ester IUPAC Name: [2-[(2-hydroxy-2-methyl-3-oxooctadecanoyl)oxymethyl]-2-[[(E)-octadec-9-enoyl]oxymethyl]butyl] 2-hydroxy-2-methyl-3-oxooctadecanoate Traditional Name: 2-hydroxy-3-keto-2-methyl-stearic acid [2-[(2-hydroxy-3-keto-2-methyl-octadecanoyl)oxymethyl]-2-[[(E)-octadec-9-enoyl]oxymethyl]butyl] ester Formula: C62H114O10 MolecularWeight: 1019.56256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)OCC(CC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C)(C(=O)OCC(CC)(COC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)C(C)(C(=O)CCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C62H114O10/c1-7-11-14-17-20-23-26-29-30-33-36-39-42-45-48-51-57(65)70-52-62(10-4,53-71-58(66)60(5,68)55(63)49-46-43-40-37-34-31-27-24-21-18-15-12-8-2)54-72-59(67)61(6,69)56(64)50-47-44-41-38-35-32-28-25-22-19-16-13-9-3/h29-30,68-69H,7-28,31-54H2,1-6H3/b30-29+