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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propane-1-sulfonic acid Openeye Name: 3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-propanesulfonic acid IUPAC Name: 3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)propane-1-sulfonic acid Formula: C15H12N2O7S MolecularWeight: 364.32998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O7S/c18-14-11-4-1-3-9-7-10(17(20)21)8-12(13(9)11)15(19)16(14)5-2-6-25(22,23)24/h1,3-4,7-8H,2,5-6H2,(H,22,23,24)