3-(2H-quinolin-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2H-quinolin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(2H-quinolin-1-yl)propane-1-sulfonic acid CAS Name: 3-(2H-quinolin-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(2H-quinolin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(2H-quinolin-1-yl)propane-1-sulfonic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=CC=CC=C2N1CCCS(=O)(=O)O

Isomeric SMILES

C1C=CC2=CC=CC=C2N1CCCS(=O)(=O)O

InChI

InChI=1S/C12H15NO3S/c14-17(15,16)10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-7H,4,8-10H2,(H,14,15,16)