[3-methyl-5-(3-oxidanylpropoxy)phenyl] isoquinoline-5-sulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] isoquinoline-5-sulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] isoquinoline-5-sulfonate CAS Name: 5-isoquinolinesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] isoquinoline-5-sulfonate Traditional Name: isoquinoline-5-sulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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