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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-tert-butylbenzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic 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-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-24(2,3)15-7-9-16(10-8-15)32(29,30)31-18-6-4-5-17-19(18)23(28)21(26-13-14-26)20(22(17)27)25-11-12-25/h4-10H,11-14H2,1-3H3