[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] (E)-2-phenylethenesulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] (E)-2-phenylethenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic 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] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c25-21-16-7-4-8-17(29-30(27,28)14-9-15-5-2-1-3-6-15)18(16)22(26)20(24-12-13-24)19(21)23-10-11-23/h1-9,14H,10-13H2/b14-9+