Molecule ID: 138388136

IUPAC Name: 2-[3-(4-chlorophenyl)-4-[(2-chloropyridine-3-carbonyl)amino]phenoxy]-4,5-dihydroxy-6-methyloxane-3-carboxylic acid

Description: The molecule is a member of biphenyls, a member of monochlorobenzenes and a pyridinecarboxamide. It derives from a boscalid.

SMILES: CC1OC(Oc2ccc(NC(=O)c3cccnc3Cl)c(-c3ccc(Cl)cc3)c2)C(C(=O)O)C(O)C1O

SELFIES: [C][C][O][C][Branch2][Ring2][Branch2][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][C][Ring2][Ring2][C][O]

InChI: InChI=1S/C25H22Cl2N2O7/c1-12-20(30)21(31)19(24(33)34)25(35-12)36-15-8-9-18(17(11-15)13-4-6-14(26)7-5-13)29-23(32)16-3-2-10-28-22(16)27/h2-12,19-21,25,30-31H,1H3,(H,29,32)(H,33,34)

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 3.9