(6-chloranyl-3-phenyl-pyridazin-4-yl) octylsulfanylmethanoate

Systemtic Name: (6-chloranyl-3-phenyl-pyridazin-4-yl) octylsulfanylmethanoate Openeye Name: (6-chloro-3-phenyl-pyridazin-4-yl) octylsulfanylformate CAS Name: (octylthio)formic acid (6-chloro-3-phenyl-4-pyridazinyl) ester IUPAC Name: (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate Traditional Name: (octylthio)formic acid (6-chloro-3-phenyl-pyridazin-4-yl) ester Formula: C38H46Cl2N4O4S2 MolecularWeight: 757.83224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl.CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl

Isomeric SMILES

CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl.CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl

InChI

InChI=1S/2C19H23ClN2O2S/c2*1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h2*7-9,11-12,14H,2-6,10,13H2,1H3