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

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-benzothiazol-3-ium-3-yl]ethanal Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde Traditional Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde Formula: C23H28NO2S+ MolecularWeight: 382.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[N+](C3=CC=CC=C3S2)CC=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[N+](C3=CC=CC=C3S2)CC=O

InChI

InChI=1S/C23H27NO2S/c1-22(2,3)16-13-15(14-17(20(16)26)23(4,5)6)21-24(11-12-25)18-9-7-8-10-19(18)27-21/h7-10,12-14H,11H2,1-6H3/p+1