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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] phenylmethanesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] phenylmethanesulfonate CAS Name: phenylmethanesulfonic 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] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)CC4=CC=CC=C4)N5CC5

Isomeric SMILES

C1CN1C2=C(C(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)CC4=CC=CC=C4)N5CC5

InChI

InChI=1S/C21H18N2O5S/c24-20-15-7-4-8-16(28-29(26,27)13-14-5-2-1-3-6-14)17(15)21(25)19(23-11-12-23)18(20)22-9-10-22/h1-8H,9-13H2