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

Systemtic Name: [6-(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] 4-fluoranylbenzenesulfonate Openeye Name: [6-(aziridin-1-yl)-5,8-dioxo-1-naphthyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [6-(1-aziridinyl)-5,8-dioxo-1-naphthalenyl] ester IUPAC Name: [6-(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (6-ethylenimino-5,8-diketo-1-naphthyl) ester Formula: C18H12FNO5S MolecularWeight: 373.354983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12FNO5S/c19-11-4-6-12(7-5-11)26(23,24)25-16-3-1-2-13-17(16)15(21)10-14(18(13)22)20-8-9-20/h1-7,10H,8-9H2