trisodium 8-azanylpyrene-1,3,6-trisulfonic acid

Systemtic Name: trisodium 8-azanylpyrene-1,3,6-trisulfonic acid Openeye Name: trisodium 8-aminopyrene-1,3,6-trisulfonic acid CAS Name: trisodium 8-aminopyrene-1,3,6-trisulfonic acid IUPAC Name: trisodium 8-aminopyrene-1,3,6-trisulfonic acid Traditional Name: trisodium 8-aminopyrene-1,3,6-trisulfonic acid Formula: C16H11NNa3O9S3+3 MolecularWeight: 526.42415

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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)N)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)N)S(=O)(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H11NO9S3.3Na/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;;;/h1-6H,17H2,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1