[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2,4,5-trimethylbenzenesulfonate

Systemtic Name: [1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2,4,5-trimethylbenzenesulfonate Openeye Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (1,3-diketobenzo[de]isoquinolin-2-yl) ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C

InChI

InChI=1S/C21H17NO5S/c1-12-10-14(3)18(11-13(12)2)28(25,26)27-22-20(23)16-8-4-6-15-7-5-9-17(19(15)16)21(22)24/h4-11H,1-3H3