trisodium 8-azanyl-3,6-bis(oxidanidylperoxysulfanyl)-3a,8a-dihydropyrene-1-sulfonate

Systemtic Name: trisodium 8-azanyl-3,6-bis(oxidanidylperoxysulfanyl)-3a,8a-dihydropyrene-1-sulfonate Openeye Name: trisodium 8-amino-3,6-bis(oxidoperoxysulfanyl)-3a,8a-dihydropyrene-1-sulfonate CAS Name: trisodium 8-amino-3,6-bis(oxidodioxythio)-3a,8a-dihydropyrene-1-sulfonate IUPAC Name: trisodium 8-amino-3,6-bis(oxidoperoxysulfanyl)-3a,8a-dihydropyrene-1-sulfonate Traditional Name: trisodium 8-amino-3,6-bis(oxidoperoxythio)-3a,8a-dihydropyrene-1-sulfonate Formula: C16H10NNa3O9S3 MolecularWeight: 525.41621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C3C2=C4C1C(=CC(=C4C=C3)SOO[O-])N)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C3C2=C4C1C(=CC(=C4C=C3)SOO[O-])N)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H13NO9S3.3Na/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;;;/h1-7,9,18-19H,17H2,(H,20,21,22);;;/q;3*+1/p-3