[5-[[1,3-bis(oxidanylidene)isoindol-2-yl]oxymethyl]-2-bromanyl-phenyl] benzenesulfonate

Systemtic Name: [5-[[1,3-bis(oxidanylidene)isoindol-2-yl]oxymethyl]-2-bromanyl-phenyl] benzenesulfonate Openeye Name: [2-bromo-5-[(1,3-dioxoisoindolin-2-yl)oxymethyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-bromo-5-[(1,3-dioxo-2-isoindolyl)oxymethyl]phenyl] ester IUPAC Name: [2-bromo-5-[(1,3-dioxoisoindol-2-yl)oxymethyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-bromo-5-(phthalimidooxymethyl)phenyl] ester Formula: C21H14BrNO6S MolecularWeight: 488.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CON3C(=O)C4=CC=CC=C4C3=O)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CON3C(=O)C4=CC=CC=C4C3=O)Br

InChI

InChI=1S/C21H14BrNO6S/c22-18-11-10-14(12-19(18)29-30(26,27)15-6-2-1-3-7-15)13-28-23-20(24)16-8-4-5-9-17(16)21(23)25/h1-12H,13H2