2,2-bis(12-oxidanyloctadecanoyloxymethyl)butyl 12-oxidanyloctadecanoate

Systemtic Name: 2,2-bis(12-oxidanyloctadecanoyloxymethyl)butyl 12-oxidanyloctadecanoate Openeye Name: 2,2-bis(12-hydroxyoctadecanoyloxymethyl)butyl 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid 2,2-bis[(12-hydroxy-1-oxooctadecoxy)methyl]butyl ester IUPAC Name: 2,2-bis(12-hydroxyoctadecanoyloxymethyl)butyl 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid 2,2-bis(12-hydroxyoctadecanoyloxymethyl)butyl ester Formula: C60H116O9 MolecularWeight: 981.55764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCC(CCCCCC)O)COC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C60H116O9/c1-5-9-12-33-42-54(61)45-36-27-21-15-18-24-30-39-48-57(64)67-51-60(8-4,52-68-58(65)49-40-31-25-19-16-22-28-37-46-55(62)43-34-13-10-6-2)53-69-59(66)50-41-32-26-20-17-23-29-38-47-56(63)44-35-14-11-7-3/h54-56,61-63H,5-53H2,1-4H3