(4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-di(propan-2-yl)-sulfanyl-azanium

Systemtic Name: (4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-di(propan-2-yl)-sulfanyl-azanium Openeye Name: (4-butoxy-2-butoxycarbonyl-4-oxo-butanethioyl)-diisopropyl-sulfanyl-ammonium CAS Name: [4-butoxy-2-[butoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-mercapto-di(propan-2-yl)ammonium IUPAC Name: (4-butoxy-2-butoxycarbonyl-4-oxobutanethioyl)-di(propan-2-yl)-sulfanylazanium Traditional Name: (4-butoxy-2-butoxycarbonyl-4-keto-butanethioyl)-diisopropyl-mercapto-ammonium Formula: C19H36NO4S2+ MolecularWeight: 406.62344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C(=S)[N+](C(C)C)(C(C)C)S)C(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CC(C(=S)[N+](C(C)C)(C(C)C)S)C(=O)OCCCC

InChI

InChI=1S/C19H36NO4S2/c1-7-9-11-23-17(21)13-16(19(22)24-12-10-8-2)18(25)20(26,14(3)4)15(5)6/h14-16,26H,7-13H2,1-6H3/q+1