methyl 2-[1,2-bis(bromanyl)-2-(2-methoxysulfonyl-4-nitro-phenyl)ethyl]-5-nitro-benzenesulfonate

Systemtic Name: methyl 2-[1,2-bis(bromanyl)-2-(2-methoxysulfonyl-4-nitro-phenyl)ethyl]-5-nitro-benzenesulfonate Openeye Name: methyl 2-[1,2-dibromo-2-(2-methoxysulfonyl-4-nitro-phenyl)ethyl]-5-nitro-benzenesulfonate CAS Name: 2-[1,2-dibromo-2-(2-methoxysulfonyl-4-nitrophenyl)ethyl]-5-nitrobenzenesulfonic acid methyl ester IUPAC Name: methyl 2-[1,2-dibromo-2-(2-methoxysulfonyl-4-nitrophenyl)ethyl]-5-nitrobenzenesulfonate Traditional Name: 2-[1,2-dibromo-2-(2-methoxysulfonyl-4-nitro-phenyl)ethyl]-5-nitro-benzenesulfonic acid methyl ester Formula: C16H14Br2N2O10S2 MolecularWeight: 618.22776

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C(C(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)OC)Br)Br

Isomeric SMILES

COS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C(C(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)OC)Br)Br

InChI

InChI=1S/C16H14Br2N2O10S2/c1-29-31(25,26)13-7-9(19(21)22)3-5-11(13)15(17)16(18)12-6-4-10(20(23)24)8-14(12)32(27,28)30-2/h3-8,15-16H,1-2H3