2-butyl-2-[5-(1,2-dithiolan-3-yl)pentyl]isoindol-2-ium-1,3-dione

Systemtic Name: 2-butyl-2-[5-(1,2-dithiolan-3-yl)pentyl]isoindol-2-ium-1,3-dione Openeye Name: 2-butyl-2-[5-(dithiolan-3-yl)pentyl]isoindolin-2-ium-1,3-dione CAS Name: 2-butyl-2-[5-(3-dithiolanyl)pentyl]isoindol-2-ium-1,3-dione IUPAC Name: 2-butyl-2-[5-(dithiolan-3-yl)pentyl]isoindol-2-ium-1,3-dione Traditional Name: 2-butyl-2-[5-(dithiolan-3-yl)pentyl]isoindolin-2-ium-1,3-quinone Formula: C20H28NO2S2+ MolecularWeight: 378.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)C2=CC=CC=C2C1=O)CCCCCC3CCSS3

Isomeric SMILES

CCCC[N+]1(C(=O)C2=CC=CC=C2C1=O)CCCCCC3CCSS3

InChI

InChI=1S/C20H28NO2S2/c1-2-3-13-21(14-8-4-5-9-16-12-15-24-25-16)19(22)17-10-6-7-11-18(17)20(21)23/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3/q+1