disodium 2-[(2Z)-2-[6-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: disodium 2-[(2Z)-2-[6-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene]hydrazinyl]benzenesulfonate Openeye Name: disodium 2-[(2Z)-2-[6-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene]hydrazino]benzenesulfonate CAS Name: disodium 2-[(2Z)-2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-3-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]benzenesulfonate IUPAC Name: disodium 2-[(2Z)-2-[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene]hydrazinyl]benzenesulfonate Traditional Name: disodium 2-[(N'Z)-N'-[6-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]besylate Formula: C20H10ClF2N5Na2O7S2 MolecularWeight: 615.882046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=C(C(=NC(=N4)F)F)Cl)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC4=C(C(=NC(=N4)F)F)Cl)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H12ClF2N5O7S2.2Na/c21-15-18(22)25-20(23)26-19(15)24-10-5-6-11-9(7-10)8-13(36-35-34-30)16(17(11)29)28-27-12-3-1-2-4-14(12)37(31,32)33;;/h1-8,27,30H,(H,24,25,26)(H,31,32,33);;/q;2*+1/p-2/b28-16+;;