4H-isoquinoline-1,3-dione; methanesulfonic acid

Systemtic Name: 4H-isoquinoline-1,3-dione; methanesulfonic acid Openeye Name: 4H-isoquinoline-1,3-dione; methanesulfonic acid CAS Name: 4H-isoquinoline-1,3-dione; methanesulfonic acid IUPAC Name: 4H-isoquinoline-1,3-dione; methanesulfonic acid Traditional Name: 4H-isoquinoline-1,3-quinone; mesylic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C2=CC=CC=C2C(=O)NC1=O

Isomeric SMILES

CS(=O)(=O)O.C1C2=CC=CC=C2C(=O)NC1=O

InChI

InChI=1S/C9H7NO2.CH4O3S/c11-8-5-6-3-1-2-4-7(6)9(12)10-8;1-5(2,3)4/h1-4H,5H2,(H,10,11,12);1H3,(H,2,3,4)