Molecule ID: 3437286

IUPAC Name: 4-(1-oxidopropylidene)-3,5-dioxocyclohexane-1-carboxylate

Description: The molecule is an organic anion derived from prohexadione by deprotonation of both the carboxy group and a hydroxy group of any of the enolate forms of the triketo moiety. The corresponding calcium salt, prohexadione-calcium, is used as an anti-lodging agent in small-grain cereals. It has a role as a plant growth regulator and a gibberellin biosynthesis inhibitor. It is a conjugate base of a prohexadione.

SMILES: CCC([O-])=C1C(=O)CC(C(=O)[O-])CC1=O

SELFIES: [C][C][C][Branch1][C][O-1][=C][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][C][Ring1][#Branch2][=O]

InChI: InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,11H,2-4H2,1H3,(H,14,15)/p-2

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 1.2