[2,4,6-tris(bromanyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [2,4,6-tris(bromanyl)phenyl] 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: (2,4,6-tribromophenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid (2,4,6-tribromophenyl) ester IUPAC Name: (2,4,6-tribromophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid (2,4,6-tribromophenyl) ester Formula: C15H10Br3NO6S2 MolecularWeight: 604.085

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=C(C=C(C=C2Br)Br)Br)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2=C(C=C(C=C2Br)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H10Br3NO6S2/c1-27(23,24)9-2-3-13(12(6-9)19(21)22)26-7-14(20)25-15-10(17)4-8(16)5-11(15)18/h2-6H,7H2,1H3