[(1S,2R,3S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-methyl-(phenylmethyl)sulfanium iodide

Systemtic Name: [(1S,2R,3S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-methyl-(phenylmethyl)sulfanium iodide Openeye Name: benzyl-[(1S,2R,3S,4R)-3-methoxy-4,7,7-trimethyl-norbornan-2-yl]-methyl-sulfonium iodide CAS Name: [(1S,2R,3S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-methyl-(phenylmethyl)sulfonium iodide IUPAC Name: benzyl-[(1S,2R,3S,4R)-3-methoxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-methylsulfanium iodide Traditional Name: benzyl-[(1S,2R,3S,4R)-3-methoxy-4,7,7-trimethyl-norbornan-2-yl]-methyl-sulfonium iodide Formula: C19H29IOS MolecularWeight: 432.40243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC1(C(C2[S+](C)CC3=CC=CC=C3)OC)C)C.[I-]

Isomeric SMILES

C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2OC)[S+](C)CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C19H29OS.HI/c1-18(2)15-11-12-19(18,3)17(20-4)16(15)21(5)13-14-9-7-6-8-10-14;/h6-10,15-17H,11-13H2,1-5H3;1H/q+1;/p-1/t15-,16-,17-,19+,21?;/m1./s1