[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] quinoline-8-sulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] quinoline-8-sulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] quinoline-8-sulfonate CAS Name: 8-quinolinesulfonic acid [6,7-bis(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] quinoline-8-sulfonate Traditional Name: quinoline-8-sulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C23H17N3O5S MolecularWeight: 447.46318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CC5=C4N=CC=C5)N6CC6

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CC5=C4N=CC=C5)N6CC6

InChI

InChI=1S/C23H17N3O5S/c27-22-15-6-2-7-16(18(15)23(28)21(26-12-13-26)20(22)25-10-11-25)31-32(29,30)17-8-1-4-14-5-3-9-24-19(14)17/h1-9H,10-13H2