[5,7-bis(bromanyl)quinolin-8-yl] 3,4-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 3,4-dimethyl-5-nitro-benzenesulfonate Openeye Name: (5,7-dibromo-8-quinolyl) 3,4-dimethyl-5-nitro-benzenesulfonate CAS Name: 3,4-dimethyl-5-nitrobenzenesulfonic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 3,4-dimethyl-5-nitrobenzenesulfonate Traditional Name: 3,4-dimethyl-5-nitro-benzenesulfonic acid (5,7-dibromo-8-quinolyl) ester Formula: C17H12Br2N2O5S MolecularWeight: 516.16058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br

InChI

InChI=1S/C17H12Br2N2O5S/c1-9-6-11(7-15(10(9)2)21(22)23)27(24,25)26-17-14(19)8-13(18)12-4-3-5-20-16(12)17/h3-8H,1-2H3