[3-(3-methylphenoxy)-3-oxidanyl-propyl] isoquinoline-5-sulfonate

Systemtic Name: [3-(3-methylphenoxy)-3-oxidanyl-propyl] isoquinoline-5-sulfonate Openeye Name: [3-hydroxy-3-(3-methylphenoxy)propyl] isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid [3-hydroxy-3-(3-methylphenoxy)propyl] ester IUPAC Name: [3-hydroxy-3-(3-methylphenoxy)propyl] isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid [3-hydroxy-3-(3-methylphenoxy)propyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO5S/c1-14-4-2-6-16(12-14)25-19(21)9-11-24-26(22,23)18-7-3-5-15-13-20-10-8-17(15)18/h2-8,10,12-13,19,21H,9,11H2,1H3