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

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-methylnaphthalene-1-sulfonate Openeye Name: 2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethyl 4-methylnaphthalene-1-sulfonate CAS Name: 4-methyl-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-methylnaphthalene-1-sulfonate Traditional Name: 4-methylnaphthalene-1-sulfonic acid 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethyl ester Formula: C25H18N2O7S MolecularWeight: 490.48462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)OCCN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)OCCN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O7S/c1-15-9-10-22(19-7-3-2-6-18(15)19)35(32,33)34-12-11-26-24(28)20-8-4-5-16-13-17(27(30)31)14-21(23(16)20)25(26)29/h2-10,13-14H,11-12H2,1H3