1-quinolin-2-ylbutane-2-sulfonic acid

Systemtic Name: 1-quinolin-2-ylbutane-2-sulfonic acid Openeye Name: 1-(2-quinolyl)butane-2-sulfonic acid CAS Name: 1-(2-quinolinyl)-2-butanesulfonic acid IUPAC Name: 1-quinolin-2-ylbutane-2-sulfonic acid Traditional Name: 1-(2-quinolyl)butane-2-sulfonic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NC2=CC=CC=C2C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(CC1=NC2=CC=CC=C2C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H15NO3S/c1-2-12(18(15,16)17)9-11-8-7-10-5-3-4-6-13(10)14-11/h3-8,12H,2,9H2,1H3,(H,15,16,17)