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

Systemtic Name: 4-methylbenzenesulfonate; methyl-[4-(oxolan-2-yl)butyl]-[2-(phenylcarbonyloxy)ethyl]sulfanium Openeye Name: 2-benzoyloxyethyl-methyl-(4-tetrahydrofuran-2-ylbutyl)sulfonium; 4-methylbenzenesulfonate CAS Name: 2-benzoyloxyethyl-methyl-[4-(2-oxolanyl)butyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: 2-benzoyloxyethyl-methyl-[4-(oxolan-2-yl)butyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: 2-benzoyloxyethyl-methyl-[4-(tetrahydrofuryl)butyl]sulfonium tosylate Formula: C25H34O6S2 MolecularWeight: 494.66386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CCCCC1CCCO1)CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](CCCCC1CCCO1)CCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H27O3S.C7H8O3S/c1-22(14-6-5-10-17-11-7-12-20-17)15-13-21-18(19)16-8-3-2-4-9-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,8-9,17H,5-7,10-15H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1