[2,2-bis(hydroxymethyl)-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] octadecanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] octadecanoate Openeye Name: [1-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-oxo-nonadecyl] octadecanoate CAS Name: octadecanoic acid [1-hydroxy-2,2-bis(hydroxymethyl)-4-oxoheneicosan-3-yl] ester IUPAC Name: [1-hydroxy-2,2-bis(hydroxymethyl)-4-oxohenicosan-3-yl] octadecanoate Traditional Name: stearic acid [1-(2-hydroxy-1,1-dimethylol-ethyl)-2-keto-nonadecyl] ester Formula: C41H80O6 MolecularWeight: 669.0703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)(CO)CO)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)(CO)CO)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(45)40(41(35-42,36-43)37-44)47-39(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,42-44H,3-37H2,1-2H3