ethyl-[5-(oxolan-2-yl)pentyl]-(phenylmethyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-[5-(oxolan-2-yl)pentyl]-(phenylmethyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: benzyl-ethyl-(5-tetrahydrofuran-2-ylpentyl)sulfonium; 4-methylbenzenesulfonate CAS Name: ethyl-[5-(2-oxolanyl)pentyl]-(phenylmethyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: benzyl-ethyl-[5-(oxolan-2-yl)pentyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: benzyl-ethyl-[5-(tetrahydrofuryl)pentyl]sulfonium tosylate Formula: C25H36O4S2 MolecularWeight: 464.68094

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Descriptors Computed from Structure

Canonical SMILES:

CC[S+](CCCCCC1CCCO1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[S+](CCCCCC1CCCO1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H29OS.C7H8O3S/c1-2-20(16-17-10-5-3-6-11-17)15-8-4-7-12-18-13-9-14-19-18;1-6-2-4-7(5-3-6)11(8,9)10/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1