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

Systemtic Name: 5-methyl-2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid Openeye Name: 5-methyl-2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzenesulfonic acid CAS Name: 5-methyl-2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzenesulfonic acid IUPAC Name: 5-methyl-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonic acid Traditional Name: 2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)-5-methyl-besylic acid Formula: C19H12N2O7S MolecularWeight: 412.37278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C19H12N2O7S/c1-10-5-6-15(16(7-10)29(26,27)28)20-18(22)13-4-2-3-11-8-12(21(24)25)9-14(17(11)13)19(20)23/h2-9H,1H3,(H,26,27,28)