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

Systemtic Name: 6-bis(3-chloranyl-4-methyl-phenyl)boranyloxycarbonylpyridine-3-carboxylic acid Openeye Name: 6-bis(3-chloro-4-methyl-phenyl)boranyloxycarbonylpyridine-3-carboxylic acid CAS Name: 6-[bis(3-chloro-4-methylphenyl)boranyloxy-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-bis(3-chloro-4-methylphenyl)boranyloxycarbonylpyridine-3-carboxylic acid Traditional Name: 6-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=NC=C(C=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=C(C=C3)C(=O)O

InChI

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