[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 3,4-dinitrobenzenesulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 3,4-dinitrobenzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 3,4-dinitrobenzenesulfonate CAS Name: 3,4-dinitrobenzenesulfonic 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] 3,4-dinitrobenzenesulfonate Traditional Name: 3,4-dinitrobenzenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H14N4O9S MolecularWeight: 486.41156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])N5CC5

InChI

InChI=1S/C20H14N4O9S/c25-19-12-2-1-3-15(16(12)20(26)18(22-8-9-22)17(19)21-6-7-21)33-34(31,32)11-4-5-13(23(27)28)14(10-11)24(29)30/h1-5,10H,6-9H2