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

Systemtic Name: (3-ethoxy-5-methyl-phenyl) isoquinoline-5-sulfonate Openeye Name: (3-ethoxy-5-methyl-phenyl) isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H17NO4S/c1-3-22-15-9-13(2)10-16(11-15)23-24(20,21)18-6-4-5-14-12-19-8-7-17(14)18/h4-12H,3H2,1-2H3