chloranylsulfanium; 2-[hexanoyl(methyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: chloranylsulfanium; 2-[hexanoyl(methyl)amino]-4-methylsulfanyl-butanoate Openeye Name: chlorosulfonium; 2-[hexanoyl(methyl)amino]-4-methylsulfanyl-butanoate CAS Name: chlorosulfonium; 2-[methyl(1-oxohexyl)amino]-4-(methylthio)butanoate IUPAC Name: chlorosulfanium; 2-[hexanoyl(methyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[caproyl(methyl)amino]-4-(methylthio)butyrate; chlorosulfonium Formula: C12H24ClNO3S2 MolecularWeight: 329.90686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C)C(CCSC)C(=O)[O-].[SH2+]Cl

Isomeric SMILES

CCCCCC(=O)N(C)C(CCSC)C(=O)[O-].[SH2+]Cl

InChI

InChI=1S/C12H23NO3S.ClHS/c1-4-5-6-7-11(14)13(2)10(12(15)16)8-9-17-3;1-2/h10H,4-9H2,1-3H3,(H,15,16);2H