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

Systemtic Name: 2-bis(3-chloranyl-4-methyl-phenyl)boranyloxycarbonylpyridine-3-carboxylic acid Openeye Name: 2-bis(3-chloro-4-methyl-phenyl)boranyloxycarbonylpyridine-3-carboxylic acid CAS Name: 2-[bis(3-chloro-4-methylphenyl)boranyloxy-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 2-bis(3-chloro-4-methylphenyl)boranyloxycarbonylpyridine-3-carboxylic acid Traditional Name: 2-bis(3-chloro-4-methyl-phenyl)boranyloxycarbonylnicotinic 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=C(C=CC=N3)C(=O)O

Isomeric SMILES

B(C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)OC(=O)C3=C(C=CC=N3)C(=O)O

InChI

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