(2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromanylbenzenesulfonate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)(C)C

InChI

InChI=1S/C18H18BrNO3S/c1-12-11-18(2,3)20-17-9-6-14(10-16(12)17)23-24(21,22)15-7-4-13(19)5-8-15/h4-11,20H,1-3H3