disodium (6E)-4-[(6-chloranyl-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-6-[(4-nitrophenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-4-[(6-chloranyl-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-6-[(4-nitrophenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6E)-4-[(6-chloro-5-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-6-[(4-nitrophenyl)hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6E)-4-[(6-chloro-5-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-6-[(4-nitrophenyl)hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6E)-4-[(6-chloro-5-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-6-[(4-nitrophenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6E)-4-[(6-chloro-2-mesyl-5-methyl-pyrimidin-4-yl)amino]-5-keto-6-[(4-nitrophenyl)hydrazono]-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C22H15ClN6Na2O11S3 MolecularWeight: 717.01564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)S(=O)(=O)C)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=CC=C(C=C4)[N+](=O)[O-])C3=O)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(N=C(N=C1Cl)S(=O)(=O)C)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=CC=C(C=C4)[N+](=O)[O-])/C3=O)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C22H17ClN6O11S3.2Na/c1-10-20(23)25-22(42(2,34)35)26-21(10)24-15-9-14(43(36,37)38)7-11-8-16(41-40-39-33)18(19(30)17(11)15)28-27-12-3-5-13(6-4-12)29(31)32;;/h3-9,27,33H,1-2H3,(H,24,25,26)(H,36,37,38);;/q;2*+1/p-2/b28-18-;;