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

Systemtic Name: 4-quinolin-2-ylbutane-1-sulfonic acid Openeye Name: 4-(2-quinolyl)butane-1-sulfonic acid CAS Name: 4-(2-quinolinyl)-1-butanesulfonic acid IUPAC Name: 4-quinolin-2-ylbutane-1-sulfonic acid Traditional Name: 4-(2-quinolyl)butane-1-sulfonic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CCCCS(=O)(=O)O

InChI

InChI=1S/C13H15NO3S/c15-18(16,17)10-4-3-6-12-9-8-11-5-1-2-7-13(11)14-12/h1-2,5,7-9H,3-4,6,10H2,(H,15,16,17)