(4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-dibutyl-sulfanyl-azanium

Systemtic Name: (4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-dibutyl-sulfanyl-azanium Openeye Name: (4-butoxy-2-butoxycarbonyl-4-oxo-butanethioyl)-dibutyl-sulfanyl-ammonium CAS Name: [4-butoxy-2-[butoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-dibutyl-mercaptoammonium IUPAC Name: (4-butoxy-2-butoxycarbonyl-4-oxobutanethioyl)-dibutyl-sulfanylazanium Traditional Name: (4-butoxy-2-butoxycarbonyl-4-keto-butanethioyl)-dibutyl-mercapto-ammonium Formula: C21H40NO4S2+ MolecularWeight: 434.6766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40NO4S2/c1-5-9-13-22(28,14-10-6-2)20(27)18(21(24)26-16-12-8-4)17-19(23)25-15-11-7-3/h18,28H,5-17H2,1-4H3/q+1