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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-tert-butylbenzenesulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H21NO5S MolecularWeight: 411.47084

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-22(2,3)14-7-9-15(10-8-14)29(26,27)28-19-6-4-5-16-20(19)18(24)13-17(21(16)25)23-11-12-23/h4-10,13H,11-12H2,1-3H3