2-hydroxyethyl(dimethyl)sulfanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydroiodide

Systemtic Name: 2-hydroxyethyl(dimethyl)sulfanium; 2-oxidanyl-2,2-diphenyl-ethanoate; hydroiodide Openeye Name: 2-hydroxy-2,2-diphenyl-acetate; 2-hydroxyethyl(dimethyl)sulfonium; hydroiodide CAS Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl(dimethyl)sulfonium; hydroiodide IUPAC Name: 2-hydroxy-2,2-diphenylacetate; 2-hydroxyethyl(dimethyl)sulfanium; hydroiodide Traditional Name: benzilate; 2-hydroxyethyl(dimethyl)sulfonium; hydroiodide Formula: C18H23IO4S MolecularWeight: 462.34229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.I

Isomeric SMILES

C[S+](C)CCO.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])O.I

InChI

InChI=1S/C14H12O3.C4H11OS.HI/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)4-3-5;/h1-10,17H,(H,15,16);5H,3-4H2,1-2H3;1H/q;+1;/p-1