trisodium 6-azanylpyrene-1,4,8-trisulfonate

Systemtic Name: trisodium 6-azanylpyrene-1,4,8-trisulfonate Openeye Name: trisodium 6-aminopyrene-1,4,8-trisulfonate CAS Name: trisodium 6-aminopyrene-1,4,8-trisulfonate IUPAC Name: trisodium 6-aminopyrene-1,4,8-trisulfonate Traditional Name: trisodium 6-aminopyrene-1,4,8-trisulfonate Formula: C16H8NNa3O9S3 MolecularWeight: 523.40033

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C3=CC(=C4C=CC(=C1C4=C23)S(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C3=CC(=C4C=CC(=C1C4=C23)S(=O)(=O)[O-])S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H11NO9S3.3Na/c17-11-6-14(29(24,25)26)8-2-1-7-12(27(18,19)20)4-3-9-13(28(21,22)23)5-10(11)16(8)15(7)9;;;/h1-6H,17H2,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3