[2,6-bis(chloranyl)-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,6-bis(chloranyl)-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2,6-dichloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,6-dichloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] ester IUPAC Name: [2,6-dichloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,6-dichloro-4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)phenyl] ester Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C3=NNC(=O)CC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C3=NNC(=O)CC3)Cl

InChI

InChI=1S/C17H14Cl2N2O4S/c1-10-2-4-12(5-3-10)26(23,24)25-17-13(18)8-11(9-14(17)19)15-6-7-16(22)21-20-15/h2-5,8-9H,6-7H2,1H3,(H,21,22)