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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-methylbenzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic 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:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

InChI

InChI=1S/C21H18N2O5S/c1-13-5-7-14(8-6-13)29(26,27)28-16-4-2-3-15-17(16)21(25)19(23-11-12-23)18(20(15)24)22-9-10-22/h2-8H,9-12H2,1H3