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

Systemtic Name: 1-butoxy-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-2-ol Openeye Name: 1-butoxy-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-2-ol CAS Name: 1-butoxy-3-[(1-oxido-2-pyridin-1-iumyl)thio]-2-propanol IUPAC Name: 1-butoxy-3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-2-ol Traditional Name: 1-butoxy-3-[(1-oxidopyridin-1-ium-2-yl)thio]propan-2-ol Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(CSC1=CC=CC=[N+]1[O-])O

Isomeric SMILES

CCCCOCC(CSC1=CC=CC=[N+]1[O-])O

InChI

InChI=1S/C12H19NO3S/c1-2-3-8-16-9-11(14)10-17-12-6-4-5-7-13(12)15/h4-7,11,14H,2-3,8-10H2,1H3