[(3R,4S)-4-bromanylhexan-3-yl]sulfanylbenzene

Systemtic Name: [(3R,4S)-4-bromanylhexan-3-yl]sulfanylbenzene Openeye Name: [(1R,2S)-2-bromo-1-ethyl-butyl]sulfanylbenzene CAS Name: [[(3R,4S)-4-bromohexan-3-yl]thio]benzene IUPAC Name: [(3R,4S)-4-bromohexan-3-yl]sulfanylbenzene Traditional Name: [[(1R,2S)-2-bromo-1-ethyl-butyl]thio]benzene Formula: C12H17BrS MolecularWeight: 273.23238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)Br)SC1=CC=CC=C1

Isomeric SMILES

CC[C@H]([C@H](CC)Br)SC1=CC=CC=C1

InChI

InChI=1S/C12H17BrS/c1-3-11(13)12(4-2)14-10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3/t11-,12+/m0/s1