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

Systemtic Name: 2-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl 4-methylnaphthalene-1-sulfonate Openeye Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-methylnaphthalene-1-sulfonate CAS Name: 4-methyl-1-naphthalenesulfonic acid 2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl ester IUPAC Name: 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl 4-methylnaphthalene-1-sulfonate Traditional Name: 4-methylnaphthalene-1-sulfonic acid 2-(1,3-diketobenzo[de]isoquinolin-2-yl)ethyl ester Formula: C25H19NO5S MolecularWeight: 445.48706

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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=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)OCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H19NO5S/c1-16-12-13-22(19-9-3-2-8-18(16)19)32(29,30)31-15-14-26-24(27)20-10-4-6-17-7-5-11-21(23(17)20)25(26)28/h2-13H,14-15H2,1H3