2-bis(3-chloranyl-4-methyl-phenyl)boranyloxycarbonylpyridine-4-carboxylic acid

Systemtic Name: 2-bis(3-chloranyl-4-methyl-phenyl)boranyloxycarbonylpyridine-4-carboxylic acid Openeye Name: 2-bis(3-chloro-4-methyl-phenyl)boranyloxycarbonylpyridine-4-carboxylic acid CAS Name: 2-[bis(3-chloro-4-methylphenyl)boranyloxy-oxomethyl]-4-pyridinecarboxylic acid IUPAC Name: 2-bis(3-chloro-4-methylphenyl)boranyloxycarbonylpyridine-4-carboxylic acid Traditional Name: 2-bis(3-chloro-4-methyl-phenyl)boranyloxycarbonylisonicotinic acid Formula: C21H16BCl2NO4 MolecularWeight: 428.07304

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=NC=CC(=C3)C(=O)O

Isomeric SMILES

B(C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=NC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H16BCl2NO4/c1-12-3-5-15(10-17(12)23)22(16-6-4-13(2)18(24)11-16)29-21(28)19-9-14(20(26)27)7-8-25-19/h3-11H,1-2H3,(H,26,27)