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

Systemtic Name: [5-methoxy-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-methylbenzenesulfonate Openeye Name: (5-methoxy-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methoxy-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,3-diketo-5-methoxy-benzo[de]isoquinolin-2-yl) ester Formula: C20H15NO6S MolecularWeight: 397.4012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)OC

InChI

InChI=1S/C20H15NO6S/c1-12-6-8-15(9-7-12)28(24,25)27-21-19(22)16-5-3-4-13-10-14(26-2)11-17(18(13)16)20(21)23/h3-11H,1-2H3