5-chloranyl-7-iodanyl-quinolin-8-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 5-chloranyl-7-iodanyl-quinolin-8-ol; 4-methylbenzenesulfonic acid Openeye Name: 5-chloro-7-iodo-quinolin-8-ol; 4-methylbenzenesulfonic acid CAS Name: 5-chloro-7-iodo-8-quinolinol; 4-methylbenzenesulfonic acid IUPAC Name: 5-chloro-7-iodoquinolin-8-ol; 4-methylbenzenesulfonic acid Traditional Name: 5-chloro-7-iodo-quinolin-8-ol; tosylic acid Formula: C16H13ClINO4S MolecularWeight: 477.70119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1

InChI

InChI=1S/C9H5ClINO.C7H8O3S/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,13H;2-5H,1H3,(H,8,9,10)