6-azanylpyrene-1,4,9-trisulfonic acid

Systemtic Name: 6-azanylpyrene-1,4,9-trisulfonic acid Openeye Name: 6-aminopyrene-1,4,9-trisulfonic acid CAS Name: 6-aminopyrene-1,4,9-trisulfonic acid IUPAC Name: 6-aminopyrene-1,4,9-trisulfonic acid Traditional Name: 6-aminopyrene-1,4,9-trisulfonic acid Formula: C16H11NO9S3 MolecularWeight: 457.45484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C2C=C(C3=C4C2=C1C(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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