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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] naphthalene-1-sulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H15NO5S MolecularWeight: 405.4232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H15NO5S/c24-18-13-17(23-11-12-23)22(25)16-8-4-9-19(21(16)18)28-29(26,27)20-10-3-6-14-5-1-2-7-15(14)20/h1-10,13H,11-12H2