1-(2-tert-butylphenoxy)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-2-ol

Systemtic Name: 1-(2-tert-butylphenoxy)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-2-ol Openeye Name: 1-(2-tert-butylphenoxy)-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-2-ol CAS Name: 1-(2-tert-butylphenoxy)-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propanol IUPAC Name: 1-(2-tert-butylphenoxy)-3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-2-ol Traditional Name: 1-(2-tert-butylphenoxy)-3-[(1-oxidopyridin-1-ium-2-yl)thio]propan-2-ol Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CSC2=CC=CC=[N+]2[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CSC2=CC=CC=[N+]2[O-])O

InChI

InChI=1S/C18H23NO3S/c1-18(2,3)15-8-4-5-9-16(15)22-12-14(20)13-23-17-10-6-7-11-19(17)21/h4-11,14,20H,12-13H2,1-3H3