[2-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl] hydrogen carbonate

Systemtic Name: [2-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl] hydrogen carbonate Openeye Name: [2-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-2,3-dihydrobenzofuran-5-yl] hydrogen carbonate CAS Name: carbonic acid [2-[3-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2,3-dihydrobenzofuran-5-yl] ester IUPAC Name: [2-[3-(1-adamantyl)-4-methoxyphenyl]-3-methyl-2,3-dihydro-1-benzofuran-5-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[3-(1-adamantyl)-4-methoxy-phenyl]-3-methyl-coumaran-5-yl] ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C=C(C=C2)OC(=O)O)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1C(OC2=C1C=C(C=C2)OC(=O)O)C3=CC(=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30O5/c1-15-21-11-20(31-26(28)29)4-6-23(21)32-25(15)19-3-5-24(30-2)22(10-19)27-12-16-7-17(13-27)9-18(8-16)14-27/h3-6,10-11,15-18,25H,7-9,12-14H2,1-2H3,(H,28,29)