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

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-propan-2-ylbenzenesulfonate Openeye Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid 2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid 2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO5S/c1-15(2)16-9-11-18(12-10-16)30(27,28)29-14-13-24-22(25)19-7-3-5-17-6-4-8-20(21(17)19)23(24)26/h3-12,15H,13-14H2,1-2H3