3-methylisoquinoline-5-sulfonic acid

Systemtic Name: 3-methylisoquinoline-5-sulfonic acid Openeye Name: 3-methylisoquinoline-5-sulfonic acid CAS Name: 3-methyl-5-isoquinolinesulfonic acid IUPAC Name: 3-methylisoquinoline-5-sulfonic acid Traditional Name: 3-methylisoquinoline-5-sulfonic acid Formula: C10H9NO3S MolecularWeight: 223.24836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)S(=O)(=O)O

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)S(=O)(=O)O

InChI

InChI=1S/C10H9NO3S/c1-7-5-9-8(6-11-7)3-2-4-10(9)15(12,13)14/h2-6H,1H3,(H,12,13,14)