[6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] (E)-2-phenylethenesulfonate

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] (E)-2-phenylethenesulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C20H15NO5S MolecularWeight: 381.4018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN1C2=CC(=O)C3=C(C2=O)C=CC=C3OS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H15NO5S/c22-17-13-16(21-10-11-21)20(23)15-7-4-8-18(19(15)17)26-27(24,25)12-9-14-5-2-1-3-6-14/h1-9,12-13H,10-11H2/b12-9+