2-cyclohex-3-en-1-yl-2-phenyl-butanoic acid; dimethylsulfanium; bromide

Systemtic Name: 2-cyclohex-3-en-1-yl-2-phenyl-butanoic acid; dimethylsulfanium; bromide Openeye Name: 2-cyclohex-3-en-1-yl-2-phenyl-butanoic acid; dimethylsulfonium; bromide CAS Name: 2-(1-cyclohex-3-enyl)-2-phenylbutanoic acid; dimethylsulfonium; bromide IUPAC Name: 2-cyclohex-3-en-1-yl-2-phenylbutanoic acid; dimethylsulfanium; bromide Traditional Name: 2-cyclohex-3-en-1-yl-2-phenyl-butyric acid; dimethylsulfonium; bromide Formula: C18H27BrO2S MolecularWeight: 387.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC=CC1)(C2=CC=CC=C2)C(=O)O.C[SH+]C.[Br-]

Isomeric SMILES

CCC(C1CCC=CC1)(C2=CC=CC=C2)C(=O)O.C[SH+]C.[Br-]

InChI

InChI=1S/C16H20O2.C2H6S.BrH/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-2;/h3-7,9-10,14H,2,8,11-12H2,1H3,(H,17,18);1-2H3;1H