2-cyclohex-2-en-1-yl-2-phenyl-ethanoate; 2-hydroxyethyl(dimethyl)sulfanium; bromide

Systemtic Name: 2-cyclohex-2-en-1-yl-2-phenyl-ethanoate; 2-hydroxyethyl(dimethyl)sulfanium; bromide Openeye Name: 2-cyclohex-2-en-1-yl-2-phenyl-acetate; 2-hydroxyethyl(dimethyl)sulfonium; bromide CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylacetate; 2-hydroxyethyl(dimethyl)sulfonium; bromide IUPAC Name: 2-cyclohex-2-en-1-yl-2-phenylacetate; 2-hydroxyethyl(dimethyl)sulfanium; bromide Traditional Name: 2-cyclohex-2-en-1-yl-2-phenyl-acetate; 2-hydroxyethyl(dimethyl)sulfonium; bromide Formula: C18H26BrO3S- MolecularWeight: 402.36624

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCO.C1CC=CC(C1)C(C2=CC=CC=C2)C(=O)[O-].[Br-]

Isomeric SMILES

C[S+](C)CCO.C1CC=CC(C1)C(C2=CC=CC=C2)C(=O)[O-].[Br-]

InChI

InChI=1S/C14H16O2.C4H11OS.BrH/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6(2)4-3-5;/h1,3-5,7-9,12-13H,2,6,10H2,(H,15,16);5H,3-4H2,1-2H3;1H/q;+1;/p-2