5-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]naphthalene-2-sulfonic acid

Systemtic Name: 5-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]naphthalene-2-sulfonic acid Openeye Name: 5-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)naphthalene-2-sulfonic acid CAS Name: 5-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-2-naphthalenesulfonic acid IUPAC Name: 5-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)naphthalene-2-sulfonic acid Traditional Name: 5-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)naphthalene-2-sulfonic acid Formula: C22H12N2O7S MolecularWeight: 448.40488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O7S/c25-21-17-5-1-4-13-9-14(24(27)28)11-18(20(13)17)22(26)23(21)19-6-2-3-12-10-15(32(29,30)31)7-8-16(12)19/h1-11H,(H,29,30,31)