methyl 3-methylsulfonyl-4-(6-oxidanylidene-1-propyl-pyridazin-3-yl)oxy-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-(6-oxidanylidene-1-propyl-pyridazin-3-yl)oxy-benzoate Openeye Name: methyl 3-methylsulfonyl-4-(6-oxo-1-propyl-pyridazin-3-yl)oxy-benzoate CAS Name: 3-methylsulfonyl-4-[(6-oxo-1-propyl-3-pyridazinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-(6-oxo-1-propylpyridazin-3-yl)oxybenzoate Traditional Name: 4-(6-keto-1-propyl-pyridazin-3-yl)oxy-3-mesyl-benzoic acid methyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)OC2=C(C=C(C=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C16H18N2O6S/c1-4-9-18-15(19)8-7-14(17-18)24-12-6-5-11(16(20)23-2)10-13(12)25(3,21)22/h5-8,10H,4,9H2,1-3H3