trisodium 6-oxidanidylsulfonothioyl-8-oxidanyl-pyrene-1,3-disulfonate

Systemtic Name: trisodium 6-oxidanidylsulfonothioyl-8-oxidanyl-pyrene-1,3-disulfonate Openeye Name: trisodium 6-hydroxy-8-oxidosulfonothioyl-pyrene-1,3-disulfonate CAS Name: trisodium 6-hydroxy-8-oxidosulfonothioylpyrene-1,3-disulfonate IUPAC Name: trisodium 6-hydroxy-8-oxidosulfonothioylpyrene-1,3-disulfonate Traditional Name: trisodium 6-hydroxy-8-oxidosulfonothioyl-pyrene-1,3-disulfonate Formula: C16H7Na3O9S4 MolecularWeight: 540.45069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)S(=O)(=S)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)O)S(=O)(=S)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H10O9S4.3Na/c17-11-5-14(29(24,25)26)10-4-3-9-13(28(21,22)23)6-12(27(18,19)20)8-2-1-7(11)15(10)16(8)9;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3