3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propane-1-sulfonic acid Openeye Name: 3-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-propanesulfonic acid IUPAC Name: 3-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)propane-1-sulfonic acid Formula: C15H11N3O9S MolecularWeight: 409.32754

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCCS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCCS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O9S/c19-14-11-6-9(17(21)22)4-8-5-10(18(23)24)7-12(13(8)11)15(20)16(14)2-1-3-28(25,26)27/h4-7H,1-3H2,(H,25,26,27)