(2,4-dichlorophenyl)methyl-dodecyl-(2-hydroxyethyl)sulfanium; hydrogen sulfate

Systemtic Name: (2,4-dichlorophenyl)methyl-dodecyl-(2-hydroxyethyl)sulfanium; hydrogen sulfate Openeye Name: (2,4-dichlorophenyl)methyl-dodecyl-(2-hydroxyethyl)sulfonium; hydrogen sulfate CAS Name: (2,4-dichlorophenyl)methyl-dodecyl-(2-hydroxyethyl)sulfonium; hydrogen sulfate IUPAC Name: (2,4-dichlorophenyl)methyl-dodecyl-(2-hydroxyethyl)sulfanium; hydrogen sulfate Traditional Name: (2,4-dichlorobenzyl)-(2-hydroxyethyl)-lauryl-sulfonium bisulfate Formula: C21H36Cl2O5S2 MolecularWeight: 503.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[S+](CCO)CC1=C(C=C(C=C1)Cl)Cl.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[S+](CCO)CC1=C(C=C(C=C1)Cl)Cl.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H35Cl2OS.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-15-25(16-14-24)18-19-12-13-20(22)17-21(19)23;1-5(2,3)4/h12-13,17,24H,2-11,14-16,18H2,1H3;(H2,1,2,3,4)/q+1;/p-1