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3,4,6-tris(fluoranyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]phthalic acid

3,4,6-tris(fluoranyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]phthalic acid

Systemtic Name:3,4,6-tris(fluoranyl)-5-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]phthalic acid
Openeye Name:3,4,6-trifluoro-5-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]phthalic acid
CAS Name:3,4,6-trifluoro-5-[(1-oxido-2-pyridin-1-iumyl)disulfanyl]phthalic acid
IUPAC Name:3,4,6-trifluoro-5-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]phthalic acid
Traditional Name:3,4,6-trifluoro-5-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]phthalic acid
Formula: C13H6F3NO5S2
MolecularWeight: 377.31565
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SSC2=C(C(=C(C(=C2F)F)C(=O)O)C(=O)O)F)[O-]


Isomeric SMILES

C1=CC=[N+](C(=C1)SSC2=C(C(=C(C(=C2F)F)C(=O)O)C(=O)O)F)[O-]


InChI

InChI=1S/C13H6F3NO5S2/c14-8-6(12(18)19)7(13(20)21)9(15)11(10(8)16)24-23-5-3-1-2-4-17(5)22/h1-4H,(H,18,19)(H,20,21)


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