2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-tert-butylbenzenesulfonate

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-tert-butylbenzenesulfonate Openeye Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid 2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid 2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C24H23NO5S/c1-24(2,3)17-10-12-18(13-11-17)31(28,29)30-15-14-25-22(26)19-8-4-6-16-7-5-9-20(21(16)19)23(25)27/h4-13H,14-15H2,1-3H3