4-methylbenzenesulfonate; methyl-(oxolan-2-ylmethyl)-[2-(phenylcarbonyloxy)ethyl]sulfanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-(oxolan-2-ylmethyl)-[2-(phenylcarbonyloxy)ethyl]sulfanium Openeye Name: 2-benzoyloxyethyl-methyl-(tetrahydrofuran-2-ylmethyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 2-benzoyloxyethyl-methyl-(2-oxolanylmethyl)sulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-benzoyloxyethyl-methyl-(oxolan-2-ylmethyl)sulfanium; 4-methylbenzenesulfonate Traditional Name: 2-benzoyloxyethyl-methyl-(tetrahydrofurfuryl)sulfonium tosylate Formula: C22H28O6S2 MolecularWeight: 452.58412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CCOC(=O)C1=CC=CC=C1)CC2CCCO2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CCOC(=O)C1=CC=CC=C1)CC2CCCO2

InChI

InChI=1S/C15H21O3S.C7H8O3S/c1-19(12-14-8-5-9-17-14)11-10-18-15(16)13-6-3-2-4-7-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-7,14H,5,8-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1