Molecule ID: 76956986

IUPAC Name: sodium;(2S)-2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate

Description: The molecule is a sodium salt resulting from the formal reaction of (S)-haloxyfop with 1 mol eq. of sodium hydride. The agrochemical herbicide haloxyfop-sodium is an equimolar mixture of (S)-haloxyfop-sodium and its enantiomer. It is an enantiomer of a haloxyfop-P-sodium.

SMILES: C[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)[O-].[Na+]

SELFIES: [C][C@H1][Branch2][Ring2][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][O-1].[Na+1]

InChI: InChI=1S/C15H11ClF3NO4.Na/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19;/h2-8H,1H3,(H,21,22);/q;+1/p-1/t8-;/m0./s1

Molecular Properties:
- Polar Surface Area: 71.5 Ų
- LogP: nan