2-methylisoquinolin-3-one; sulfuric acid

Systemtic Name: 2-methylisoquinolin-3-one; sulfuric acid Openeye Name: 2-methylisoquinolin-3-one; sulfuric acid CAS Name: 2-methyl-3-isoquinolinone; sulfuric acid IUPAC Name: 2-methylisoquinolin-3-one; sulfuric acid Traditional Name: 2-methyl-3-isoquinolone; sulfuric acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C=CC=CC2=CC1=O.OS(=O)(=O)O

Isomeric SMILES

CN1C=C2C=CC=CC2=CC1=O.OS(=O)(=O)O

InChI

InChI=1S/C10H9NO.H2O4S/c1-11-7-9-5-3-2-4-8(9)6-10(11)12;1-5(2,3)4/h2-7H,1H3;(H2,1,2,3,4)