6-azanyl-1,3-bis(oxidanylidene)-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-5-sulfonate

Systemtic Name: 6-azanyl-1,3-bis(oxidanylidene)-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-5-sulfonate Openeye Name: 6-amino-1,3-dioxo-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-5-sulfonate CAS Name: 6-amino-1,3-dioxo-2-(1,2,4-triazol-4-yl)-5-benzo[de]isoquinolinesulfonate IUPAC Name: 6-amino-1,3-dioxo-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-5-sulfonate Traditional Name: 6-amino-1,3-diketo-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-5-sulfonate Formula: C14H8N5O5S- MolecularWeight: 358.30882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])N4C=NN=C4

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC(=C2N)S(=O)(=O)[O-])N4C=NN=C4

InChI

InChI=1S/C14H9N5O5S/c15-12-7-2-1-3-8-11(7)9(4-10(12)25(22,23)24)14(21)19(13(8)20)18-5-16-17-6-18/h1-6H,15H2,(H,22,23,24)/p-1