2-[3-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid

Systemtic Name: 2-[3-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]-1-adamantyl]ethanoic acid Openeye Name: 2-[3-(4,5-dichloro-6-oxo-pyridazin-1-yl)-1-adamantyl]acetic acid CAS Name: 2-[3-(4,5-dichloro-6-oxo-1-pyridazinyl)-1-adamantyl]acetic acid IUPAC Name: 2-[3-(4,5-dichloro-6-oxopyridazin-1-yl)-1-adamantyl]acetic acid Traditional Name: 2-[3-(4,5-dichloro-6-keto-pyridazin-1-yl)-1-adamantyl]acetic acid Formula: C16H18Cl2N2O3 MolecularWeight: 357.23172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)Cl)Cl)CC(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)Cl)Cl)CC(=O)O

InChI

InChI=1S/C16H18Cl2N2O3/c17-11-7-19-20(14(23)13(11)18)16-4-9-1-10(5-16)3-15(2-9,8-16)6-12(21)22/h7,9-10H,1-6,8H2,(H,21,22)