dioctyl-(4-oxidanylidene-4-propan-2-yloxy-2-propan-2-yloxycarbonyl-butanethioyl)-sulfanyl-azanium

Systemtic Name: dioctyl-(4-oxidanylidene-4-propan-2-yloxy-2-propan-2-yloxycarbonyl-butanethioyl)-sulfanyl-azanium Openeye Name: (4-isopropoxy-2-isopropoxycarbonyl-4-oxo-butanethioyl)-dioctyl-sulfanyl-ammonium CAS Name: mercapto-dioctyl-[4-oxo-2-[oxo(propan-2-yloxy)methyl]-4-propan-2-yloxy-1-sulfanylidenebutyl]ammonium IUPAC Name: dioctyl-(4-oxo-4-propan-2-yloxy-2-propan-2-yloxycarbonylbutanethioyl)-sulfanylazanium Traditional Name: (4-isopropoxy-2-isopropoxycarbonyl-4-keto-butanethioyl)-mercapto-dioctyl-ammonium Formula: C27H52NO4S2+ MolecularWeight: 518.83608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(C(=S)C(CC(=O)OC(C)C)C(=O)OC(C)C)S

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(C(=S)C(CC(=O)OC(C)C)C(=O)OC(C)C)S

InChI

InChI=1S/C27H52NO4S2/c1-7-9-11-13-15-17-19-28(34,20-18-16-14-12-10-8-2)26(33)24(27(30)32-23(5)6)21-25(29)31-22(3)4/h22-24,34H,7-21H2,1-6H3/q+1