1-chloranyl-2-oxidanidyl-isoquinolin-2-ium-4,7-disulfonic acid

Systemtic Name: 1-chloranyl-2-oxidanidyl-isoquinolin-2-ium-4,7-disulfonic acid Openeye Name: 1-chloro-2-oxido-isoquinolin-2-ium-4,7-disulfonic acid CAS Name: 1-chloro-2-oxidoisoquinolin-2-ium-4,7-disulfonic acid IUPAC Name: 1-chloro-2-oxidoisoquinolin-2-ium-4,7-disulfonic acid Traditional Name: 1-chloro-2-oxido-isoquinolin-2-ium-4,7-disulfonic acid Formula: C9H6ClNO7S2 MolecularWeight: 339.72944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)C(=[N+](C=C2S(=O)(=O)O)[O-])Cl

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)C(=[N+](C=C2S(=O)(=O)O)[O-])Cl

InChI

InChI=1S/C9H6ClNO7S2/c10-9-7-3-5(19(13,14)15)1-2-6(7)8(4-11(9)12)20(16,17)18/h1-4H,(H,13,14,15)(H,16,17,18)