2-[(4-cyanophenyl)methyl]tridecylsulfanium chloride

Systemtic Name: 2-[(4-cyanophenyl)methyl]tridecylsulfanium chloride Openeye Name: 2-[(4-cyanophenyl)methyl]tridecylsulfonium chloride CAS Name: 2-[(4-cyanophenyl)methyl]tridecylsulfonium chloride IUPAC Name: 2-[(4-cyanophenyl)methyl]tridecylsulfanium chloride Traditional Name: 2-(4-cyanobenzyl)tridecylsulfonium chloride Formula: C21H34ClNS MolecularWeight: 368.01936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC=C(C=C1)C#N)C[SH2+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC=C(C=C1)C#N)C[SH2+].[Cl-]

InChI

InChI=1S/C21H33NS.ClH/c1-2-3-4-5-6-7-8-9-10-11-21(18-23)16-19-12-14-20(17-22)15-13-19;/h12-15,21,23H,2-11,16,18H2,1H3;1H