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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-ethylbenzenesulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-ethylbenzenesulfonate CAS Name: 4-ethylbenzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-ethylbenzenesulfonate Traditional Name: 4-ethylbenzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H17NO5S MolecularWeight: 383.41768

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S/c1-2-13-6-8-14(9-7-13)27(24,25)26-18-5-3-4-15-19(18)17(22)12-16(20(15)23)21-10-11-21/h3-9,12H,2,10-11H2,1H3