4-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]naphthalene-1-sulfonic acid

Systemtic Name: 4-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]naphthalene-1-sulfonic acid Openeye Name: 4-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)naphthalene-1-sulfonic acid CAS Name: 4-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-naphthalenesulfonic acid IUPAC Name: 4-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)naphthalene-1-sulfonic acid Traditional Name: 4-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)naphthalene-1-sulfonic acid Formula: C22H12N2O7S MolecularWeight: 448.40488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

InChI

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