[4-[3-[4-[3-[4-(3-bromanyl-5-chloranyl-phenyl)-2,5-dihexyl-phenyl]-5-chloranyl-phenyl]-2,5-dihexyl-phenyl]-5-chloranyl-phenyl]-2,5-dihexyl-phenyl]boronic acid

Systemtic Name: [4-[3-[4-[3-[4-(3-bromanyl-5-chloranyl-phenyl)-2,5-dihexyl-phenyl]-5-chloranyl-phenyl]-2,5-dihexyl-phenyl]-5-chloranyl-phenyl]-2,5-dihexyl-phenyl]boronic acid Openeye Name: [4-[3-[4-[3-[4-(3-bromo-5-chloro-phenyl)-2,5-dihexyl-phenyl]-5-chloro-phenyl]-2,5-dihexyl-phenyl]-5-chloro-phenyl]-2,5-dihexyl-phenyl]boronic acid CAS Name: [4-[3-[4-[3-[4-(3-bromo-5-chlorophenyl)-2,5-dihexylphenyl]-5-chlorophenyl]-2,5-dihexylphenyl]-5-chlorophenyl]-2,5-dihexylphenyl]boronic acid IUPAC Name: [4-[3-[4-[3-[4-(3-bromo-5-chlorophenyl)-2,5-dihexylphenyl]-5-chlorophenyl]-2,5-dihexylphenyl]-5-chlorophenyl]-2,5-dihexylphenyl]boronic acid Traditional Name: [4-[3-[4-[3-[4-(3-bromo-5-chloro-phenyl)-2,5-dihexyl-phenyl]-5-chloro-phenyl]-2,5-dihexyl-phenyl]-5-chloro-phenyl]-2,5-dihexyl-phenyl]boronic acid Formula: C72H95BBrCl3O2 MolecularWeight: 1189.5975

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1CCCCCC)C2=CC(=CC(=C2)Cl)C3=CC(=C(C=C3CCCCCC)C4=CC(=CC(=C4)Cl)C5=CC(=C(C=C5CCCCCC)C6=CC(=CC(=C6)Br)Cl)CCCCCC)CCCCCC)CCCCCC)(O)O

Isomeric SMILES

B(C1=CC(=C(C=C1CCCCCC)C2=CC(=CC(=C2)Cl)C3=CC(=C(C=C3CCCCCC)C4=CC(=CC(=C4)Cl)C5=CC(=C(C=C5CCCCCC)C6=CC(=CC(=C6)Br)Cl)CCCCCC)CCCCCC)CCCCCC)(O)O

InChI

InChI=1S/C72H95BBrCl3O2/c1-7-13-19-25-31-52-46-68(60-38-61(43-65(76)42-60)71-49-57(36-30-24-18-12-6)72(73(78)79)50-56(71)35-29-23-17-11-5)53(32-26-20-14-8-2)45-67(52)58-37-59(41-64(75)40-58)69-47-55(34-28-22-16-10-4)70(48-54(69)33-27-21-15-9-3)62-39-63(74)51-66(77)44-62/h37-51,78-79H,7-36H2,1-6H3