benzenesulfonate; 2-cyanopropyl-ethyl-(2-ethylhexyl)sulfanium

Systemtic Name: benzenesulfonate; 2-cyanopropyl-ethyl-(2-ethylhexyl)sulfanium Openeye Name: benzenesulfonate; 2-cyanopropyl-ethyl-(2-ethylhexyl)sulfonium CAS Name: benzenesulfonate; 2-cyanopropyl-ethyl-(2-ethylhexyl)sulfonium IUPAC Name: benzenesulfonate; 2-cyanopropyl-ethyl-(2-ethylhexyl)sulfanium Traditional Name: 2-cyanopropyl-ethyl-(2-ethylhexyl)sulfonium besylate Formula: C20H33NO3S2 MolecularWeight: 399.61092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[S+](CC)CC(C)C#N.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)C[S+](CC)CC(C)C#N.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H28NS.C6H6O3S/c1-5-8-9-14(6-2)12-16(7-3)11-13(4)10-15;7-10(8,9)6-4-2-1-3-5-6/h13-14H,5-9,11-12H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1