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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] benzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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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=CC=C4)N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C4=CC=CC=C4)N5CC5

InChI

InChI=1S/C20H16N2O5S/c23-19-14-7-4-8-15(27-28(25,26)13-5-2-1-3-6-13)16(14)20(24)18(22-11-12-22)17(19)21-9-10-21/h1-8H,9-12H2