[6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [6-bromanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: (6-bromo-1,3-dioxo-benzo[de]isoquinolin-2-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (6-bromo-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (6-bromo-1,3-diketo-benzo[de]isoquinolin-2-yl) ester Formula: C21H16BrNO5S MolecularWeight: 474.32444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON2C(=O)C3=C4C(=C(C=C3)Br)C=CC=C4C2=O)C

InChI

InChI=1S/C21H16BrNO5S/c1-11-9-12(2)19(13(3)10-11)29(26,27)28-23-20(24)15-6-4-5-14-17(22)8-7-16(18(14)15)21(23)25/h4-10H,1-3H3