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

Systemtic Name: 2-bromanyl-1-[(4-methylphenyl)sulfonylmethyl]-4-nitro-benzene Openeye Name: 2-bromo-4-nitro-1-(p-tolylsulfonylmethyl)benzene CAS Name: 2-bromo-1-[(4-methylphenyl)sulfonylmethyl]-4-nitrobenzene IUPAC Name: 2-bromo-1-[(4-methylphenyl)sulfonylmethyl]-4-nitrobenzene Traditional Name: 2-bromo-4-nitro-1-(tosylmethyl)benzene Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrNO4S/c1-10-2-6-13(7-3-10)21(19,20)9-11-4-5-12(16(17)18)8-14(11)15/h2-8H,9H2,1H3