5-bromanyl-1-fluoranyl-3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-benzene

Systemtic Name: 5-bromanyl-1-fluoranyl-3-[(4-methylphenyl)sulfonylmethyl]-2-nitro-benzene Openeye Name: 5-bromo-1-fluoro-2-nitro-3-(p-tolylsulfonylmethyl)benzene CAS Name: 5-bromo-1-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-2-nitrobenzene IUPAC Name: 5-bromo-1-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-2-nitrobenzene Traditional Name: 5-bromo-1-fluoro-2-nitro-3-(tosylmethyl)benzene Formula: C14H11BrFNO4S MolecularWeight: 388.208843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC(=C2[N+](=O)[O-])F)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC(=CC(=C2[N+](=O)[O-])F)Br

InChI

InChI=1S/C14H11BrFNO4S/c1-9-2-4-12(5-3-9)22(20,21)8-10-6-11(15)7-13(16)14(10)17(18)19/h2-7H,8H2,1H3