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

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 3,4-dimethoxybenzenesulfonate Openeye Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid 2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid 2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl ester Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)OC

InChI

InChI=1S/C22H19NO7S/c1-28-18-10-9-15(13-19(18)29-2)31(26,27)30-12-11-23-21(24)16-7-3-5-14-6-4-8-17(20(14)16)22(23)25/h3-10,13H,11-12H2,1-2H3