2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-tert-butylbenzenesulfonate

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-tert-butylbenzenesulfonate Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid 2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C24H22N2O7S MolecularWeight: 482.50568

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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=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O7S/c1-24(2,3)16-7-9-18(10-8-16)34(31,32)33-12-11-25-22(27)19-6-4-5-15-13-17(26(29)30)14-20(21(15)19)23(25)28/h4-10,13-14H,11-12H2,1-3H3