1-[5,7-bis(chloranyl)-2-methyl-8-oxidanyl-quinolin-3-yl]propane-1-sulfonic acid

Systemtic Name: 1-[5,7-bis(chloranyl)-2-methyl-8-oxidanyl-quinolin-3-yl]propane-1-sulfonic acid Openeye Name: 1-(5,7-dichloro-8-hydroxy-2-methyl-3-quinolyl)propane-1-sulfonic acid CAS Name: 1-(5,7-dichloro-8-hydroxy-2-methyl-3-quinolinyl)-1-propanesulfonic acid IUPAC Name: 1-(5,7-dichloro-8-hydroxy-2-methylquinolin-3-yl)propane-1-sulfonic acid Traditional Name: 1-(5,7-dichloro-8-hydroxy-2-methyl-3-quinolyl)propane-1-sulfonic acid Formula: C13H13Cl2NO4S MolecularWeight: 350.21762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N=C2C(=C1)C(=CC(=C2O)Cl)Cl)C)S(=O)(=O)O

Isomeric SMILES

CCC(C1=C(N=C2C(=C1)C(=CC(=C2O)Cl)Cl)C)S(=O)(=O)O

InChI

InChI=1S/C13H13Cl2NO4S/c1-3-11(21(18,19)20)7-4-8-9(14)5-10(15)13(17)12(8)16-6(7)2/h4-5,11,17H,3H2,1-2H3,(H,18,19,20)