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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-bromanylnaphthalene-1-sulfonate Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 4-bromonaphthalene-1-sulfonate CAS Name: 4-bromo-1-naphthalenesulfonic 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-bromonaphthalene-1-sulfonate Traditional Name: 4-bromonaphthalene-1-sulfonic acid 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C24H15BrN2O7S MolecularWeight: 555.3541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)OCCN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)OCCN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H15BrN2O7S/c25-20-8-9-21(17-6-2-1-5-16(17)20)35(32,33)34-11-10-26-23(28)18-7-3-4-14-12-15(27(30)31)13-19(22(14)18)24(26)29/h1-9,12-13H,10-11H2