trisodium 8-oxidanylpyrene-1,3,6-trisulfonate

Systemtic Name: trisodium 8-oxidanylpyrene-1,3,6-trisulfonate Openeye Name: trisodium 8-hydroxypyrene-1,3,6-trisulfonate CAS Name: trisodium 8-hydroxypyrene-1,3,6-trisulfonate IUPAC Name: trisodium 8-hydroxypyrene-1,3,6-trisulfonate Traditional Name: trisodium 8-hydroxypyrene-1,3,6-trisulfonate Formula: C16H7Na3O10S3 MolecularWeight: 524.38509

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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)(=O)[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)(=O)[O-].[Na+].[Na+].[Na+]

InChI

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