benzenesulfonate; cyclopropyl-phenyl-propyl-sulfanium

Systemtic Name: benzenesulfonate; cyclopropyl-phenyl-propyl-sulfanium Openeye Name: benzenesulfonate; cyclopropyl-phenyl-propyl-sulfonium CAS Name: benzenesulfonate; cyclopropyl-phenyl-propylsulfonium IUPAC Name: benzenesulfonate; cyclopropyl-phenyl-propylsulfanium Traditional Name: cyclopropyl-phenyl-propyl-sulfonium besylate Formula: C18H22O3S2 MolecularWeight: 350.49548

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Descriptors Computed from Structure

Canonical SMILES:

CCC[S+](C1CC1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[S+](C1CC1)C2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H17S.C6H6O3S/c1-2-10-13(12-8-9-12)11-6-4-3-5-7-11;7-10(8,9)6-4-2-1-3-5-6/h3-7,12H,2,8-10H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1