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

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-ethylbenzenesulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic 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-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C(=O)C(=C(C3=O)N4CC4)N5CC5

InChI

InChI=1S/C22H20N2O5S/c1-2-14-6-8-15(9-7-14)30(27,28)29-17-5-3-4-16-18(17)22(26)20(24-12-13-24)19(21(16)25)23-10-11-23/h3-9H,2,10-13H2,1H3