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

Systemtic Name: [7-(aziridin-1-yl)-6-methyl-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-tert-butylbenzenesulfonate Openeye Name: [7-(aziridin-1-yl)-6-methyl-5,8-dioxo-1-naphthyl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [7-(1-aziridinyl)-6-methyl-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [7-(aziridin-1-yl)-6-methyl-5,8-dioxonaphthalen-1-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (7-ethylenimino-5,8-diketo-6-methyl-1-naphthyl) ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)N4CC4

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)N4CC4

InChI

InChI=1S/C23H23NO5S/c1-14-20(24-12-13-24)22(26)19-17(21(14)25)6-5-7-18(19)29-30(27,28)16-10-8-15(9-11-16)23(2,3)4/h5-11H,12-13H2,1-4H3