2-acetyloxyethyl(dimethyl)sulfanium; 3-(phenylmethyl)thiophene; bromide

Systemtic Name: 2-acetyloxyethyl(dimethyl)sulfanium; 3-(phenylmethyl)thiophene; bromide Openeye Name: 2-acetoxyethyl(dimethyl)sulfonium; 3-benzylthiophene; bromide CAS Name: 2-acetyloxyethyl(dimethyl)sulfonium; 3-(phenylmethyl)thiophene; bromide IUPAC Name: 2-acetyloxyethyl(dimethyl)sulfanium; 3-benzylthiophene; bromide Traditional Name: 2-acetoxyethyl(dimethyl)sulfonium; 3-benzylthiophene; bromide Formula: C17H23BrO2S2 MolecularWeight: 403.39732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[S+](C)C.C1=CC=C(C=C1)CC2=CSC=C2.[Br-]

Isomeric SMILES

CC(=O)OCC[S+](C)C.C1=CC=C(C=C1)CC2=CSC=C2.[Br-]

InChI

InChI=1S/C11H10S.C6H13O2S.BrH/c1-2-4-10(5-3-1)8-11-6-7-12-9-11;1-6(7)8-4-5-9(2)3;/h1-7,9H,8H2;4-5H2,1-3H3;1H/q;+1;/p-1