methanesulfonic acid; 5-nitrobenzo[de]isoquinoline-1,3-dione

Systemtic Name: methanesulfonic acid; 5-nitrobenzo[de]isoquinoline-1,3-dione Openeye Name: methanesulfonic acid; 5-nitrobenzo[de]isoquinoline-1,3-dione CAS Name: methanesulfonic acid; 5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: methanesulfonic acid; 5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: mesylic acid; 5-nitrobenzo[de]isoquinoline-1,3-quinone Formula: C14H14N2O10S2 MolecularWeight: 434.39836

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=CC(=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C12H6N2O4.2CH4O3S/c15-11-8-3-1-2-6-4-7(14(17)18)5-9(10(6)8)12(16)13-11;2*1-5(2,3)4/h1-5H,(H,13,15,16);2*1H3,(H,2,3,4)