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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)N(C1=O)OS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCC1CC(=O)N(C1=O)OS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H19NO5S/c1-2-3-9-14-12-15(18)17(16(14)19)22-23(20,21)11-10-13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3/b11-10+