disodium 3-[[4-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]phenyl]diazenyl]-7-oxidanidylperoxysulfanyl-5-(phenoxymethylideneamino)naphthalene-2-sulfonate

Systemtic Name: disodium 3-[[4-[[5-chloranyl-2,4-bis(fluoranyl)-1,4-dihydropyrimidin-6-yl]amino]phenyl]diazenyl]-7-oxidanidylperoxysulfanyl-5-(phenoxymethylideneamino)naphthalene-2-sulfonate Openeye Name: disodium 3-[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]azo-7-oxidoperoxysulfanyl-5-(phenoxymethyleneamino)naphthalene-2-sulfonate CAS Name: disodium 3-[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]azo-7-(oxidodioxythio)-5-(phenoxymethylideneamino)-2-naphthalenesulfonate IUPAC Name: disodium 3-[[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]diazenyl]-7-oxidoperoxysulfanyl-5-(phenoxymethylideneamino)naphthalene-2-sulfonate Traditional Name: disodium 3-[4-[(5-chloro-2,4-difluoro-1,4-dihydropyrimidin-6-yl)amino]phenyl]azo-7-(oxidoperoxythio)-5-(phenoxymethyleneamino)naphthalene-2-sulfonate Formula: C27H17ClF2N6Na2O7S2 MolecularWeight: 721.019226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC=NC2=CC(=CC3=CC(=C(C=C32)N=NC4=CC=C(C=C4)NC5=C(C(N=C(N5)F)F)Cl)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OC=NC2=CC(=CC3=CC(=C(C=C32)N=NC4=CC=C(C=C4)NC5=C(C(N=C(N5)F)F)Cl)S(=O)(=O)[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C27H19ClF2N6O7S2.2Na/c28-24-25(29)33-27(30)34-26(24)32-16-6-8-17(9-7-16)35-36-22-13-20-15(11-23(22)45(38,39)40)10-19(44-43-42-37)12-21(20)31-14-41-18-4-2-1-3-5-18;;/h1-14,25,32,37H,(H,33,34)(H,38,39,40);;/q;2*+1/p-2