[3,5-bis(hydroxymethyl)-5-(octadecanoyloxymethyl)-4-oxidanyl-oxan-3-yl]methyl octadecanoate

Systemtic Name: [3,5-bis(hydroxymethyl)-5-(octadecanoyloxymethyl)-4-oxidanyl-oxan-3-yl]methyl octadecanoate Openeye Name: [4-hydroxy-3,5-bis(hydroxymethyl)-5-(octadecanoyloxymethyl)tetrahydropyran-3-yl]methyl octadecanoate CAS Name: octadecanoic acid [4-hydroxy-3,5-bis(hydroxymethyl)-5-(1-oxooctadecoxymethyl)-3-oxanyl]methyl ester IUPAC Name: [4-hydroxy-3,5-bis(hydroxymethyl)-5-(octadecanoyloxymethyl)oxan-3-yl]methyl octadecanoate Traditional Name: stearic acid [4-hydroxy-3,5-dimethylol-5-(stearoyloxymethyl)tetrahydropyran-3-yl]methyl ester Formula: C45H86O8 MolecularWeight: 755.15954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(CO)COC(=O)CCCCCCCCCCCCCCCCC)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(CO)COC(=O)CCCCCCCCCCCCCCCCC)CO

InChI

InChI=1S/C45H86O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(48)52-39-44(35-46)37-51-38-45(36-47,43(44)50)40-53-42(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43,46-47,50H,3-40H2,1-2H3