4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid

Systemtic Name: 4-[6-(2-chloranyl-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid Openeye Name: 4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid CAS Name: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid IUPAC Name: 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole; methanesulfonic acid Traditional Name: 4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole; mesylic acid Formula: C21H33ClN2O5S MolecularWeight: 461.01512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl.CS(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=NN1)CC)CCCCCCOC2=C(C=C(C=C2)OC)Cl.CS(=O)(=O)O

InChI

InChI=1S/C20H29ClN2O2.CH4O3S/c1-4-18-16(19(5-2)23-22-18)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21;1-5(2,3)4/h11-12,14H,4-10,13H2,1-3H3,(H,22,23);1H3,(H,2,3,4)