2-cyclohexyl-2-phenyl-ethanoate; 2-hydroxyethyl(dimethyl)sulfanium; hydroiodide

Systemtic Name: 2-cyclohexyl-2-phenyl-ethanoate; 2-hydroxyethyl(dimethyl)sulfanium; hydroiodide Openeye Name: 2-cyclohexyl-2-phenyl-acetate; 2-hydroxyethyl(dimethyl)sulfonium; hydroiodide CAS Name: 2-cyclohexyl-2-phenylacetate; 2-hydroxyethyl(dimethyl)sulfonium; hydroiodide IUPAC Name: 2-cyclohexyl-2-phenylacetate; 2-hydroxyethyl(dimethyl)sulfanium; hydroiodide Traditional Name: 2-cyclohexyl-2-phenyl-acetate; 2-hydroxyethyl(dimethyl)sulfonium; hydroiodide Formula: C18H29IO3S MolecularWeight: 452.39053

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCO.C1CCC(CC1)C(C2=CC=CC=C2)C(=O)[O-].I

Isomeric SMILES

C[S+](C)CCO.C1CCC(CC1)C(C2=CC=CC=C2)C(=O)[O-].I

InChI

InChI=1S/C14H18O2.C4H11OS.HI/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)4-3-5;/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16);5H,3-4H2,1-2H3;1H/q;+1;/p-1