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

Systemtic Name: 3-[5,7-bis(chloranyl)-2-methyl-8-oxidanyl-2H-quinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-(5,7-dichloro-8-hydroxy-2-methyl-2H-quinolin-1-yl)propane-1-sulfonic acid CAS Name: 3-(5,7-dichloro-8-hydroxy-2-methyl-2H-quinolin-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(5,7-dichloro-8-hydroxy-2-methyl-2H-quinolin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(5,7-dichloro-8-hydroxy-2-methyl-2H-quinolin-1-yl)propane-1-sulfonic acid Formula: C13H15Cl2NO4S MolecularWeight: 352.2335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2=C(N1CCCS(=O)(=O)O)C(=C(C=C2Cl)Cl)O

Isomeric SMILES

CC1C=CC2=C(N1CCCS(=O)(=O)O)C(=C(C=C2Cl)Cl)O

InChI

InChI=1S/C13H15Cl2NO4S/c1-8-3-4-9-10(14)7-11(15)13(17)12(9)16(8)5-2-6-21(18,19)20/h3-4,7-8,17H,2,5-6H2,1H3,(H,18,19,20)