disodium 2-[2-[(6-oxidanidylperoxysulfanylnaphthalen-1-yl)amino]pyrimidin-4-yl]sulfanylbenzoate

Systemtic Name: disodium 2-[2-[(6-oxidanidylperoxysulfanylnaphthalen-1-yl)amino]pyrimidin-4-yl]sulfanylbenzoate Openeye Name: disodium 2-[2-[(6-oxidoperoxysulfanyl-1-naphthyl)amino]pyrimidin-4-yl]sulfanylbenzoate CAS Name: disodium 2-[[2-[[6-(oxidodioxythio)-1-naphthalenyl]amino]-4-pyrimidinyl]thio]benzoate IUPAC Name: disodium 2-[2-[(6-oxidoperoxysulfanylnaphthalen-1-yl)amino]pyrimidin-4-yl]sulfanylbenzoate Traditional Name: disodium 2-[[2-[[6-(oxidoperoxythio)-1-naphthyl]amino]pyrimidin-4-yl]thio]benzoate Formula: C21H13N3Na2O5S2 MolecularWeight: 497.45456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SC2=NC(=NC=C2)NC3=CC=CC4=C3C=CC(=C4)SOO[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SC2=NC(=NC=C2)NC3=CC=CC4=C3C=CC(=C4)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C21H15N3O5S2.2Na/c25-20(26)16-5-1-2-7-18(16)30-19-10-11-22-21(24-19)23-17-6-3-4-13-12-14(31-29-28-27)8-9-15(13)17;;/h1-12,27H,(H,25,26)(H,22,23,24);;/q;2*+1/p-2