methyl 2-(bromomethyl)-2-methyl-3-octadecylsulfanyl-3-oxidanylidene-propanoate

Systemtic Name: methyl 2-(bromomethyl)-2-methyl-3-octadecylsulfanyl-3-oxidanylidene-propanoate Openeye Name: methyl 2-(bromomethyl)-2-methyl-3-octadecylsulfanyl-3-oxo-propanoate CAS Name: 2-(bromomethyl)-2-methyl-3-(octadecylthio)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 2-(bromomethyl)-2-methyl-3-octadecylsulfanyl-3-oxopropanoate Traditional Name: 2-(bromomethyl)-3-keto-2-methyl-3-(stearylthio)propionic acid methyl ester Formula: C24H45BrO3S MolecularWeight: 493.5813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(=O)C(C)(CBr)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(=O)C(C)(CBr)C(=O)OC

InChI

InChI=1S/C24H45BrO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(27)24(2,21-25)22(26)28-3/h4-21H2,1-3H3