trisodium 7,8-bis(oxidanyl)pyrene-1,3,6-trisulfonate

Systemtic Name: trisodium 7,8-bis(oxidanyl)pyrene-1,3,6-trisulfonate Openeye Name: trisodium 7,8-dihydroxypyrene-1,3,6-trisulfonate CAS Name: trisodium 7,8-dihydroxypyrene-1,3,6-trisulfonate IUPAC Name: trisodium 7,8-dihydroxypyrene-1,3,6-trisulfonate Traditional Name: trisodium 7,8-dihydroxypyrene-1,3,6-trisulfonate Formula: C16H7Na3O11S3 MolecularWeight: 540.38449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C(=C2O)O)S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C3C(=C(C(=C2O)O)S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H10O11S3.3Na/c17-14-8-3-1-6-10(28(19,20)21)5-11(29(22,23)24)7-2-4-9(13(8)12(6)7)16(15(14)18)30(25,26)27;;;/h1-5,17-18H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3