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

Systemtic Name: [3-(3-methylbutyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] (E)-2-phenylethenesulfonate Openeye Name: (3-isopentyl-2,5-dioxo-pyrrolidin-1-yl) (E)-2-phenylethenesulfonate CAS Name: (E)-2-phenylethenesulfonic acid [3-(3-methylbutyl)-2,5-dioxo-1-pyrrolidinyl] ester IUPAC Name: [3-(3-methylbutyl)-2,5-dioxopyrrolidin-1-yl] (E)-2-phenylethenesulfonate Traditional Name: (E)-2-phenylethenesulfonic acid (3-isoamyl-2,5-diketo-pyrrolidino) ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CC(=O)N(C1=O)OS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCC1CC(=O)N(C1=O)OS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H21NO5S/c1-13(2)8-9-15-12-16(19)18(17(15)20)23-24(21,22)11-10-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3/b11-10+