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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] benzenesulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] benzenesulfonate CAS Name: benzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] benzenesulfonate Traditional Name: benzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C18H13NO5S MolecularWeight: 355.36452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO5S/c20-15-11-14(19-9-10-19)18(21)13-7-4-8-16(17(13)15)24-25(22,23)12-5-2-1-3-6-12/h1-8,11H,9-10H2