1,6,7-tris(chloranyl)-4-oxidanyl-isoquinoline-3-carboxylate

Systemtic Name: 1,6,7-tris(chloranyl)-4-oxidanyl-isoquinoline-3-carboxylate Openeye Name: 1,6,7-trichloro-4-hydroxy-isoquinoline-3-carboxylate CAS Name: 1,6,7-trichloro-4-hydroxy-3-isoquinolinecarboxylate IUPAC Name: 1,6,7-trichloro-4-hydroxyisoquinoline-3-carboxylate Traditional Name: 1,6,7-trichloro-4-hydroxy-isoquinoline-3-carboxylate Formula: C10H3Cl3NO3- MolecularWeight: 291.49472

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)Cl)C(=NC(=C2O)C(=O)[O-])Cl

Isomeric SMILES

C1=C2C(=CC(=C1Cl)Cl)C(=NC(=C2O)C(=O)[O-])Cl

InChI

InChI=1S/C10H4Cl3NO3/c11-5-1-3-4(2-6(5)12)9(13)14-7(8(3)15)10(16)17/h1-2,15H,(H,16,17)/p-1