2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanesulfonic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanesulfonic acid Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethanesulfonic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethanesulfonic acid IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethanesulfonic acid Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethanesulfonic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CS(=O)(=O)O

InChI

InChI=1S/C11H13NO4S/c13-11(8-17(14,15)16)12-6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H,14,15,16)