2-hydroxyethyl(dimethyl)sulfanium; 2-phenylpentanoate; iodide

Systemtic Name: 2-hydroxyethyl(dimethyl)sulfanium; 2-phenylpentanoate; iodide Openeye Name: 2-hydroxyethyl(dimethyl)sulfonium; 2-phenylpentanoate; iodide CAS Name: 2-hydroxyethyl(dimethyl)sulfonium; 2-phenylpentanoate; iodide IUPAC Name: 2-hydroxyethyl(dimethyl)sulfanium; 2-phenylpentanoate; iodide Traditional Name: 2-hydroxyethyl(dimethyl)sulfonium; 2-phenylvalerate; iodide Formula: C15H24IO3S- MolecularWeight: 411.31873

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)[O-].C[S+](C)CCO.[I-]

Isomeric SMILES

CCCC(C1=CC=CC=C1)C(=O)[O-].C[S+](C)CCO.[I-]

InChI

InChI=1S/C11H14O2.C4H11OS.HI/c1-2-6-10(11(12)13)9-7-4-3-5-8-9;1-6(2)4-3-5;/h3-5,7-8,10H,2,6H2,1H3,(H,12,13);5H,3-4H2,1-2H3;1H/q;+1;/p-2