[3-(2-methylpropyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] (E)-2-phenylethenesulfonate

Systemtic Name: [3-(2-methylpropyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] (E)-2-phenylethenesulfonate Openeye Name: (3-isobutyl-2,5-dioxo-pyrrolidin-1-yl) (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [3-(2-methylpropyl)-2,5-dioxo-1-pyrrolidinyl] ester IUPAC Name: [3-(2-methylpropyl)-2,5-dioxopyrrolidin-1-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid (3-isobutyl-2,5-diketo-pyrrolidino) ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CC(=O)N(C1=O)OS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1CC(=O)N(C1=O)OS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H19NO5S/c1-12(2)10-14-11-15(18)17(16(14)19)22-23(20,21)9-8-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3/b9-8+