4-bromanyl-3-oxidanylidene-2-[1-sulfanyl-2-(trimethylazaniumyl)ethyl]hexadecanoate

Systemtic Name: 4-bromanyl-3-oxidanylidene-2-[1-sulfanyl-2-(trimethylazaniumyl)ethyl]hexadecanoate Openeye Name: 4-bromo-3-oxo-2-[1-sulfanyl-2-(trimethylammonio)ethyl]hexadecanoate CAS Name: 4-bromo-2-[1-mercapto-2-(trimethylammonio)ethyl]-3-oxohexadecanoate IUPAC Name: 4-bromo-3-oxo-2-[1-sulfanyl-2-(trimethylazaniumyl)ethyl]hexadecanoate Traditional Name: 4-bromo-3-keto-2-[1-mercapto-2-(trimethylammonio)ethyl]palmitate Formula: C21H40BrNO3S MolecularWeight: 466.5162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C(C(C[N+](C)(C)C)S)C(=O)[O-])Br

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C(C(C[N+](C)(C)C)S)C(=O)[O-])Br

InChI

InChI=1S/C21H40BrNO3S/c1-5-6-7-8-9-10-11-12-13-14-15-17(22)20(24)19(21(25)26)18(27)16-23(2,3)4/h17-19H,5-16H2,1-4H3,(H-,25,26,27)