isoquinolin-3-yl hydrogen carbonate hydrate

Systemtic Name: isoquinolin-3-yl hydrogen carbonate hydrate Openeye Name: 3-isoquinolyl hydrogen carbonate hydrate CAS Name: carbonic acid 3-isoquinolinyl ester hydrate IUPAC Name: isoquinolin-3-yl hydrogen carbonate hydrate Traditional Name: carbonic acid 3-isoquinolyl ester hydrate Formula: C10H9NO4 MolecularWeight: 207.18276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)OC(=O)O.O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)OC(=O)O.O

InChI

InChI=1S/C10H7NO3.H2O/c12-10(13)14-9-5-7-3-1-2-4-8(7)6-11-9;/h1-6H,(H,12,13);1H2