hexadecyl 2-bromanyl-3-oxidanylidene-butanoate

Systemtic Name: hexadecyl 2-bromanyl-3-oxidanylidene-butanoate Openeye Name: hexadecyl 2-bromo-3-oxo-butanoate CAS Name: 2-bromo-3-oxobutanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-bromo-3-oxobutanoate Traditional Name: 2-bromo-3-keto-butyric acid cetyl ester Formula: C20H37BrO3 MolecularWeight: 405.40998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C(=O)C)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C(=O)C)Br

InChI

InChI=1S/C20H37BrO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(23)19(21)18(2)22/h19H,3-17H2,1-2H3