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

Systemtic Name: 6-azanyl-1,3-bis(oxidanylidene)-2-pyridin-2-yl-benzo[de]isoquinoline-5-sulfonate Openeye Name: 6-amino-1,3-dioxo-2-(2-pyridyl)benzo[de]isoquinoline-5-sulfonate CAS Name: 6-amino-1,3-dioxo-2-(2-pyridinyl)-5-benzo[de]isoquinolinesulfonate IUPAC Name: 6-amino-1,3-dioxo-2-pyridin-2-ylbenzo[de]isoquinoline-5-sulfonate Traditional Name: 6-amino-1,3-diketo-2-(2-pyridyl)benzo[de]isoquinoline-5-sulfonate Formula: C17H10N3O5S- MolecularWeight: 368.3434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)[O-])C2=O

Isomeric SMILES

C1=CC=NC(=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4N)S(=O)(=O)[O-])C2=O

InChI

InChI=1S/C17H11N3O5S/c18-15-9-4-3-5-10-14(9)11(8-12(15)26(23,24)25)17(22)20(16(10)21)13-6-1-2-7-19-13/h1-8H,18H2,(H,23,24,25)/p-1