3,4-dihydro-1H-isoquinoline-2-sulfonic acid

Systemtic Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid Openeye Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid CAS Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid IUPAC Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid Traditional Name: 3,4-dihydro-1H-isoquinoline-2-sulfonic acid Formula: C9H11NO3S MolecularWeight: 213.25354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C9H11NO3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4H,5-7H2,(H,11,12,13)