[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-1-benzofuran-6-yl] hydrogen carbonate

Systemtic Name: [2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-1-benzofuran-6-yl] hydrogen carbonate Openeye Name: [2-[3-(1-adamantyl)-4-hydroxy-phenyl]benzofuran-6-yl] hydrogen carbonate CAS Name: carbonic acid [2-[3-(1-adamantyl)-4-hydroxyphenyl]-6-benzofuranyl] ester IUPAC Name: [2-[3-(1-adamantyl)-4-hydroxyphenyl]-1-benzofuran-6-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[3-(1-adamantyl)-4-hydroxy-phenyl]benzofuran-6-yl] ester Formula: C25H24O5 MolecularWeight: 404.45506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(O5)C=C(C=C6)OC(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(O5)C=C(C=C6)OC(=O)O)O

InChI

InChI=1S/C25H24O5/c26-21-4-2-17(22-9-18-1-3-19(29-24(27)28)10-23(18)30-22)8-20(21)25-11-14-5-15(12-25)7-16(6-14)13-25/h1-4,8-10,14-16,26H,5-7,11-13H2,(H,27,28)