97338-16-4 Purity
96%
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The molecular formula of Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is C52H102O4.
Some synonyms for Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate include isocetyl stearoyl stearate, 97338-28-8, UNII-IJV4LS383R, and IJV4LS383R.
The molecular weight of Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is 791.4 g/mol.
The IUPAC name of Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is 14-methylpentadecyl 12-octadecanoyloxyoctadecanoate.
The InChIKey of Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is OUZJJDFOKSDCHY-UHFFFAOYSA-N.
The Canonical SMILES of Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C.
There are 4 hydrogen bond acceptors in Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate.
The exact mass of Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate is 790.77781173 g/mol.
There are 49 rotatable bonds in Isohexadecyl 12-[(1-oxooctadecyl)oxy]octadecanoate.
Yes, the compound is canonicalized.