(4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-dodecyl-ethyl-sulfanyl-azanium

Systemtic Name: (4-butoxy-2-butoxycarbonyl-4-oxidanylidene-butanethioyl)-dodecyl-ethyl-sulfanyl-azanium Openeye Name: (4-butoxy-2-butoxycarbonyl-4-oxo-butanethioyl)-dodecyl-ethyl-sulfanyl-ammonium CAS Name: [4-butoxy-2-[butoxy(oxo)methyl]-4-oxo-1-sulfanylidenebutyl]-dodecyl-ethyl-mercaptoammonium IUPAC Name: (4-butoxy-2-butoxycarbonyl-4-oxobutanethioyl)-dodecyl-ethyl-sulfanylazanium Traditional Name: (4-butoxy-2-butoxycarbonyl-4-keto-butanethioyl)-ethyl-lauryl-mercapto-ammonium Formula: C27H52NO4S2+ MolecularWeight: 518.83608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52NO4S2/c1-5-9-12-13-14-15-16-17-18-19-20-28(34,8-4)26(33)24(27(30)32-22-11-7-3)23-25(29)31-21-10-6-2/h24,34H,5-23H2,1-4H3/q+1