2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-3-ium-3-yl]ethanal bromide

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-3-ium-3-yl]ethanal bromide Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]acetaldehyde bromide CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-thiazol-3-iumyl]acetaldehyde bromide IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-3-ium-3-yl]acetaldehyde bromide Traditional Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-3-ium-3-yl]acetaldehyde bromide Formula: C19H26BrNO2S MolecularWeight: 412.38424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[N+](C=CS2)CC=O.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[N+](C=CS2)CC=O.[Br-]

InChI

InChI=1S/C19H25NO2S.BrH/c1-18(2,3)14-11-13(12-15(16(14)22)19(4,5)6)17-20(7-9-21)8-10-23-17;/h8-12H,7H2,1-6H3;1H