3-(2-methyloctan-2-yl)-6-oxidanyl-benzo[c][1,2]benzoxaborinin-9-ol

Systemtic Name: 3-(2-methyloctan-2-yl)-6-oxidanyl-benzo[c][1,2]benzoxaborinin-9-ol Openeye Name: 3-(1,1-dimethylheptyl)-6-hydroxy-benzo[c][1,2]benzoxaborinin-9-ol CAS Name: 6-hydroxy-3-(2-methyloctan-2-yl)-9-benzo[c][1,2]benzoxaborinol IUPAC Name: 6-hydroxy-3-(2-methyloctan-2-yl)benzo[c][1,2]benzoxaborinin-9-ol Traditional Name: 3-(1,1-dimethylheptyl)-6-hydroxy-benzo[c][1,2]benzoxaborin-9-ol Formula: C21H27BO3 MolecularWeight: 338.24828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=C(C=C2)O)C3=C(O1)C=C(C=C3)C(C)(C)CCCCCC)O

Isomeric SMILES

B1(C2=C(C=C(C=C2)O)C3=C(O1)C=C(C=C3)C(C)(C)CCCCCC)O

InChI

InChI=1S/C21H27BO3/c1-4-5-6-7-12-21(2,3)15-8-10-17-18-14-16(23)9-11-19(18)22(24)25-20(17)13-15/h8-11,13-14,23-24H,4-7,12H2,1-3H3