[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromen-7-yl] hydrogen carbonate

Systemtic Name: [2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromen-7-yl] hydrogen carbonate Openeye Name: [2-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromen-7-yl] hydrogen carbonate CAS Name: carbonic acid [2-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-1-benzopyran-7-yl] ester IUPAC Name: [2-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-chromen-7-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromen-7-yl] ester Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5C=CC6=C(O5)C=C(C=C6)OC(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5C=CC6=C(O5)C=C(C=C6)OC(=O)O)O

InChI

InChI=1S/C26H26O5/c27-22-5-2-19(10-21(22)26-12-15-7-16(13-26)9-17(8-15)14-26)23-6-3-18-1-4-20(30-25(28)29)11-24(18)31-23/h1-6,10-11,15-17,23,27H,7-9,12-14H2,(H,28,29)