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

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone 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)C(=O)C[N+]2=CSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C[N+]2=CSC3=CC=CC=C32

InChI

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