disodium 6-azanyl-8-oxidanidylperoxysulfanyl-1,3-bis(oxidanylidene)-2-phenyl-benzo[de]isoquinoline-5-sulfonate

Systemtic Name: disodium 6-azanyl-8-oxidanidylperoxysulfanyl-1,3-bis(oxidanylidene)-2-phenyl-benzo[de]isoquinoline-5-sulfonate Openeye Name: disodium 6-amino-8-oxidoperoxysulfanyl-1,3-dioxo-2-phenyl-benzo[de]isoquinoline-5-sulfonate CAS Name: disodium 6-amino-8-(oxidodioxythio)-1,3-dioxo-2-phenyl-5-benzo[de]isoquinolinesulfonate IUPAC Name: disodium 6-amino-8-oxidoperoxysulfanyl-1,3-dioxo-2-phenylbenzo[de]isoquinoline-5-sulfonate Traditional Name: disodium 6-amino-1,3-diketo-8-(oxidoperoxythio)-2-phenyl-benzo[de]isoquinoline-5-sulfonate Formula: C18H10N2Na2O8S2 MolecularWeight: 492.39014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)SOO[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC(=C(C4=CC(=CC(=C43)C2=O)SOO[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H12N2O8S2.2Na/c19-16-11-6-10(29-28-27-23)7-12-15(11)13(8-14(16)30(24,25)26)18(22)20(17(12)21)9-4-2-1-3-5-9;;/h1-8,23H,19H2,(H,24,25,26);;/q;2*+1/p-2