trisodium [[5-chloranyl-4-fluoranyl-6-[[(6Z)-7-oxidanidylperoxysulfanyl-6-[(6-oxidanidylperoxysulfanylnaphthalen-1-yl)hydrazinylidene]-5-oxidanylidene-naphthalen-2-yl]amino]pyrimidin-2-yl]amino]methanesulfonate

Systemtic Name: trisodium [[5-chloranyl-4-fluoranyl-6-[[(6Z)-7-oxidanidylperoxysulfanyl-6-[(6-oxidanidylperoxysulfanylnaphthalen-1-yl)hydrazinylidene]-5-oxidanylidene-naphthalen-2-yl]amino]pyrimidin-2-yl]amino]methanesulfonate Openeye Name: trisodium [[5-chloro-4-fluoro-6-[[(6Z)-7-oxidoperoxysulfanyl-6-[(6-oxidoperoxysulfanyl-1-naphthyl)hydrazono]-5-oxo-2-naphthyl]amino]pyrimidin-2-yl]amino]methanesulfonate CAS Name: trisodium [[5-chloro-4-fluoro-6-[[(6Z)-7-(oxidodioxythio)-6-[[6-(oxidodioxythio)-1-naphthalenyl]hydrazinylidene]-5-oxo-2-naphthalenyl]amino]-2-pyrimidinyl]amino]methanesulfonate IUPAC Name: trisodium [[5-chloro-4-fluoro-6-[[(6Z)-7-oxidoperoxysulfanyl-6-[(6-oxidoperoxysulfanylnaphthalen-1-yl)hydrazinylidene]-5-oxonaphthalen-2-yl]amino]pyrimidin-2-yl]amino]methanesulfonate Traditional Name: trisodium [[5-chloro-4-fluoro-6-[[(6Z)-5-keto-7-(oxidoperoxythio)-6-[[6-(oxidoperoxythio)-1-naphthyl]hydrazono]-2-naphthyl]amino]pyrimidin-2-yl]amino]methanesulfonate Formula: C25H15ClFN6Na3O10S3 MolecularWeight: 779.036513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)SOO[O-])C(=C1)NN=C3C(=CC4=C(C3=O)C=CC(=C4)NC5=C(C(=NC(=N5)NCS(=O)(=O)[O-])F)Cl)SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=CC(=C2)SOO[O-])C(=C1)N/N=C/3\C(=CC4=C(C3=O)C=CC(=C4)NC5=C(C(=NC(=N5)NCS(=O)(=O)[O-])F)Cl)SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H18ClFN6O10S3.3Na/c26-20-23(27)30-25(28-11-46(37,38)39)31-24(20)29-14-4-6-17-13(8-14)10-19(45-43-41-36)21(22(17)34)33-32-18-3-1-2-12-9-15(44-42-40-35)5-7-16(12)18;;;/h1-10,32,35-36H,11H2,(H,37,38,39)(H2,28,29,30,31);;;/q;3*+1/p-3/b33-21+;;;