isoquinoline-5-sulfonic acid

Systemtic Name: isoquinoline-5-sulfonic acid Openeye Name: isoquinoline-5-sulfonic acid CAS Name: 5-isoquinolinesulfonic acid IUPAC Name: isoquinoline-5-sulfonic acid Traditional Name: isoquinoline-5-sulfonic acid Formula: C9H7NO3S MolecularWeight: 209.22178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)