[(3R,4R)-2-(bromomethyl)-5-methyl-4-(nitromethyl)hex-1-en-3-yl]sulfonylbenzene

Systemtic Name: [(3R,4R)-2-(bromomethyl)-5-methyl-4-(nitromethyl)hex-1-en-3-yl]sulfonylbenzene Openeye Name: [(1R,2R)-1-[1-(bromomethyl)vinyl]-3-methyl-2-(nitromethyl)butyl]sulfonylbenzene CAS Name: [(3R,4R)-2-(bromomethyl)-5-methyl-4-(nitromethyl)hex-1-en-3-yl]sulfonylbenzene IUPAC Name: [(3R,4R)-2-(bromomethyl)-5-methyl-4-(nitromethyl)hex-1-en-3-yl]sulfonylbenzene Traditional Name: [(1R)-2-(bromomethyl)-1-[(1R)-2-methyl-1-(nitromethyl)propyl]allyl]sulfonylbenzene Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[N+](=O)[O-])C(C(=C)CBr)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](C[N+](=O)[O-])[C@H](C(=C)CBr)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H20BrNO4S/c1-11(2)14(10-17(18)19)15(12(3)9-16)22(20,21)13-7-5-4-6-8-13/h4-8,11,14-15H,3,9-10H2,1-2H3/t14-,15-/m0/s1