(4-tert-butylphenyl)methyl-bis(oxidanyl)-(1-oxidanylpyridin-1-ium-2-yl)-$l^{4}-sulfane

Systemtic Name: (4-tert-butylphenyl)methyl-bis(oxidanyl)-(1-oxidanylpyridin-1-ium-2-yl)-$l^{4}-sulfane Openeye Name: (4-tert-butylphenyl)methyl-dihydroxy-(1-hydroxypyridin-1-ium-2-yl)-$l^{4}-sulfane CAS Name: (4-tert-butylphenyl)methyl-dihydroxy-(1-hydroxy-2-pyridin-1-iumyl)-$l^{4}-sulfane IUPAC Name: (4-tert-butylphenyl)methyl-dihydroxy-(1-hydroxypyridin-1-ium-2-yl)-$l^{4}-sulfane Traditional Name: (4-tert-butylbenzyl)-dihydroxy-(1-hydroxypyridin-1-ium-2-yl)sulfurane Formula: C16H22NO3S+ MolecularWeight: 308.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(C2=CC=CC=[N+]2O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(C2=CC=CC=[N+]2O)(O)O

InChI

InChI=1S/C16H21NO3S/c1-16(2,3)14-9-7-13(8-10-14)12-21(19,20)15-6-4-5-11-17(15)18/h4-11H,12H2,1-3H3,(H2-,18,19,20)/p+1