methyl-(3-phenylprop-2-ynyl)-[(1S,2R,3S,4R)-4,7,7-trimethyl-3-oxidanyl-2-bicyclo[2.2.1]heptanyl]sulfanium bromide

Systemtic Name: methyl-(3-phenylprop-2-ynyl)-[(1S,2R,3S,4R)-4,7,7-trimethyl-3-oxidanyl-2-bicyclo[2.2.1]heptanyl]sulfanium bromide Openeye Name: [(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-norbornan-2-yl]-methyl-(3-phenylprop-2-ynyl)sulfonium bromide CAS Name: [(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-methyl-(3-phenylprop-2-ynyl)sulfonium bromide IUPAC Name: [(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-methyl-(3-phenylprop-2-ynyl)sulfanium bromide Traditional Name: [(1S,2R,3S,4R)-3-hydroxy-4,7,7-trimethyl-norbornan-2-yl]-methyl-(3-phenylprop-2-ynyl)sulfonium bromide Formula: C20H27BrOS MolecularWeight: 395.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2[S+](C)CC#CC3=CC=CC=C3)O)C)C.[Br-]

Isomeric SMILES

C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2O)[S+](C)CC#CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H27OS.BrH/c1-19(2)16-12-13-20(19,3)18(21)17(16)22(4)14-8-11-15-9-6-5-7-10-15;/h5-7,9-10,16-18,21H,12-14H2,1-4H3;1H/q+1;/p-1/t16-,17-,18-,20+,22?;/m1./s1