[6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalen-2-yl]boronic acid

Systemtic Name: [6-[3-(1-adamantyl)-4-methoxy-phenyl]naphthalen-2-yl]boronic acid Openeye Name: [6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthyl]boronic acid CAS Name: [6-[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthalenyl]boronic acid IUPAC Name: [6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalen-2-yl]boronic acid Traditional Name: [6-[3-(1-adamantyl)-4-methoxy-phenyl]-2-naphthyl]boronic acid Formula: C27H29BO3 MolecularWeight: 412.32836

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5)(O)O

Isomeric SMILES

B(C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5)(O)O

InChI

InChI=1S/C27H29BO3/c1-31-26-7-5-23(20-2-3-22-12-24(28(29)30)6-4-21(22)11-20)13-25(26)27-14-17-8-18(15-27)10-19(9-17)16-27/h2-7,11-13,17-19,29-30H,8-10,14-16H2,1H3