[2,4,6-tris(bromanyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [2,4,6-tris(bromanyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2,4,6-tribromophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2,4,6-tribromophenyl) ester IUPAC Name: (2,4,6-tribromophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2,4,6-tribromophenyl) ester Formula: C13H8Br3NO5S MolecularWeight: 529.98332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2Br)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2Br)Br)Br

InChI

InChI=1S/C13H8Br3NO5S/c1-7-2-3-9(17(18)19)6-12(7)23(20,21)22-13-10(15)4-8(14)5-11(13)16/h2-6H,1H3