Molecule ID: 70697869

IUPAC Name: disodium;2-[1-(1-oxido-3,4-dioxonaphthalen-2-yl)ethyl]-3,4-dioxonaphthalen-1-olate

Description: The molecule is an organic sodium salt that is the disodium salt of impatienol. Isolated from the corolla of Impatiens balsamina, it exhibits inhibitory activity against COX-2. It has a role as a metabolite and a cyclooxygenase 2 inhibitor. It contains an impatienol(2-).

SMILES: CC(C1=C([O-])c2ccccc2C(=O)C1=O)C1=C([O-])c2ccccc2C(=O)C1=O.[Na+].[Na+]

SELFIES: [C][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=O][C][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=O].[Na+1].[Na+1]

InChI: InChI=1S/C22H14O6.2Na/c1-10(15-17(23)11-6-2-4-8-13(11)19(25)21(15)27)16-18(24)12-7-3-5-9-14(12)20(26)22(16)28;;/h2-10,23-24H,1H3;;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: nan