[2-[3,6-bis(chloranyl)pyridazin-4-yl]-2-methyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[3,6-bis(chloranyl)pyridazin-4-yl]-2-methyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-(3,6-dichloropyridazin-4-yl)-2-methyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3,6-dichloro-4-pyridazinyl)-2-methylpropyl] ester IUPAC Name: [2-(3,6-dichloropyridazin-4-yl)-2-methylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3,6-dichloropyridazin-4-yl)-2-methyl-propyl] ester Formula: C15H16Cl2N2O3S MolecularWeight: 375.27014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC(=NN=C2Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC(=NN=C2Cl)Cl

InChI

InChI=1S/C15H16Cl2N2O3S/c1-10-4-6-11(7-5-10)23(20,21)22-9-15(2,3)12-8-13(16)18-19-14(12)17/h4-8H,9H2,1-3H3