1-oxidanylidene-2H-isoquinoline-4-sulfonic acid

Systemtic Name: 1-oxidanylidene-2H-isoquinoline-4-sulfonic acid Openeye Name: 1-oxo-2H-isoquinoline-4-sulfonic acid CAS Name: 1-oxo-2H-isoquinoline-4-sulfonic acid IUPAC Name: 1-oxo-2H-isoquinoline-4-sulfonic acid Traditional Name: 1-keto-2H-isoquinoline-4-sulfonic acid Formula: C9H7NO4S MolecularWeight: 225.22118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC2=O)S(=O)(=O)O

InChI

InChI=1S/C9H7NO4S/c11-9-7-4-2-1-3-6(7)8(5-10-9)15(12,13)14/h1-5H,(H,10,11)(H,12,13,14)