trisodium 3,6-bis(oxidanidylperoxysulfanyl)-8-oxidanyl-pyrene-1-sulfonate

Systemtic Name: trisodium 3,6-bis(oxidanidylperoxysulfanyl)-8-oxidanyl-pyrene-1-sulfonate Openeye Name: trisodium 8-hydroxy-3,6-bis(oxidoperoxysulfanyl)pyrene-1-sulfonate CAS Name: trisodium 8-hydroxy-3,6-bis(oxidodioxythio)-1-pyrenesulfonate IUPAC Name: trisodium 8-hydroxy-3,6-bis(oxidoperoxysulfanyl)pyrene-1-sulfonate Traditional Name: trisodium 8-hydroxy-3,6-bis(oxidoperoxythio)pyrene-1-sulfonate Formula: C16H7Na3O10S3 MolecularWeight: 524.38509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C3=C2C4=C1C(=CC(=C4C=C3)SOO[O-])O)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C3=C2C4=C1C(=CC(=C4C=C3)SOO[O-])O)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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