[5,7-bis(bromanyl)quinolin-8-yl] 2,4-dimethylbenzenesulfonate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 2,4-dimethylbenzenesulfonate Openeye Name: (5,7-dibromo-8-quinolyl) 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-dimethylbenzenesulfonic acid (5,7-dibromo-8-quinolyl) ester Formula: C17H13Br2NO3S MolecularWeight: 471.16302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)C

InChI

InChI=1S/C17H13Br2NO3S/c1-10-5-6-15(11(2)8-10)24(21,22)23-17-14(19)9-13(18)12-4-3-7-20-16(12)17/h3-9H,1-2H3