(3-methyl-5-oxidanyl-phenyl) isoquinoline-5-sulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) isoquinoline-5-sulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3)O

InChI

InChI=1S/C16H13NO4S/c1-11-7-13(18)9-14(8-11)21-22(19,20)16-4-2-3-12-10-17-6-5-15(12)16/h2-10,18H,1H3