trisodium 6-oxidanidylperoxysulfanyl-4-oxidanyl-pyrene-1,9-disulfonate

Systemtic Name: trisodium 6-oxidanidylperoxysulfanyl-4-oxidanyl-pyrene-1,9-disulfonate Openeye Name: trisodium 4-hydroxy-6-oxidoperoxysulfanyl-pyrene-1,9-disulfonate CAS Name: trisodium 4-hydroxy-6-(oxidodioxythio)pyrene-1,9-disulfonate IUPAC Name: trisodium 4-hydroxy-6-oxidoperoxysulfanylpyrene-1,9-disulfonate Traditional Name: trisodium 4-hydroxy-6-(oxidoperoxythio)pyrene-1,9-disulfonate Formula: C16H7Na3O10S3 MolecularWeight: 524.38509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O)SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])O)SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H10O10S3.3Na/c17-11-5-9-12(27-26-25-18)3-1-8-14(29(22,23)24)6-10-13(28(19,20)21)4-2-7(11)15(10)16(8)9;;;/h1-6,17-18H,(H,19,20,21)(H,22,23,24);;;/q;3*+1/p-3