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

Systemtic Name: chloranylsulfanium; 2-[dodecanoyl(methyl)amino]-4-methylsulfanyl-butanoate Openeye Name: chlorosulfonium; 2-[dodecanoyl(methyl)amino]-4-methylsulfanyl-butanoate CAS Name: chlorosulfonium; 2-[methyl(1-oxododecyl)amino]-4-(methylthio)butanoate IUPAC Name: chlorosulfanium; 2-[dodecanoyl(methyl)amino]-4-methylsulfanylbutanoate Traditional Name: chlorosulfonium; 2-[lauroyl(methyl)amino]-4-(methylthio)butyrate Formula: C18H36ClNO3S2 MolecularWeight: 414.06634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO3S.ClHS/c1-4-5-6-7-8-9-10-11-12-13-17(20)19(2)16(18(21)22)14-15-23-3;1-2/h16H,4-15H2,1-3H3,(H,21,22);2H