[(1S,2S,4S,5S)-2-bromanyl-5-carboxy-4-phenyl-cyclohexyl]-dimethyl-sulfanium

Systemtic Name: [(1S,2S,4S,5S)-2-bromanyl-5-carboxy-4-phenyl-cyclohexyl]-dimethyl-sulfanium Openeye Name: [(1S,2S,4S,5S)-2-bromo-5-carboxy-4-phenyl-cyclohexyl]-dimethyl-sulfonium CAS Name: [(1S,2S,4S,5S)-2-bromo-5-carboxy-4-phenylcyclohexyl]-dimethylsulfonium IUPAC Name: [(1S,2S,4S,5S)-2-bromo-5-carboxy-4-phenylcyclohexyl]-dimethylsulfanium Traditional Name: [(1S,2S,4S,5S)-2-bromo-5-carboxy-4-phenyl-cyclohexyl]-dimethyl-sulfonium Formula: C15H20BrO2S+ MolecularWeight: 344.2871

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1CC(C(CC1Br)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[S+](C)[C@H]1C[C@@H]([C@H](C[C@@H]1Br)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H19BrO2S/c1-19(2)14-9-12(15(17)18)11(8-13(14)16)10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3/p+1/t11-,12+,13+,14+/m1/s1