2-methylpropanoyloxysulfanyl 2-methyl-2-octadecyl-henicosanoate

Systemtic Name: 2-methylpropanoyloxysulfanyl 2-methyl-2-octadecyl-henicosanoate Openeye Name: 2-methylpropanoyloxysulfanyl 2-methyl-2-octadecyl-henicosanoate CAS Name: 2-methyl-2-octadecylheneicosanoic acid [(2-methyl-1-oxopropoxy)thio] ester IUPAC Name: 2-methylpropanoyloxysulfanyl 2-methyl-2-octadecylhenicosanoate Traditional Name: 2-methyl-2-stearyl-heneicosanoic acid (isobutyryloxythio) ester Formula: C44H86O4S MolecularWeight: 711.21624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)C(=O)OSOC(=O)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C)(CCCCCCCCCCCCCCCCCC)C(=O)OSOC(=O)C(C)C

InChI

InChI=1S/C44H86O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-44(5,43(46)48-49-47-42(45)41(3)4)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3