2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromene-7-carboxylate

Systemtic Name: 2-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2H-chromene-7-carboxylate Openeye Name: 2-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromene-7-carboxylate CAS Name: 2-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-1-benzopyran-7-carboxylate IUPAC Name: 2-[3-(1-adamantyl)-4-hydroxyphenyl]-2H-chromene-7-carboxylate Traditional Name: 2-[3-(1-adamantyl)-4-hydroxy-phenyl]-2H-chromene-7-carboxylate Formula: C26H25O4- MolecularWeight: 401.4743

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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)C(=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5C=CC6=C(O5)C=C(C=C6)C(=O)[O-])O

InChI

InChI=1S/C26H26O4/c27-22-5-3-19(23-6-4-18-1-2-20(25(28)29)11-24(18)30-23)10-21(22)26-12-15-7-16(13-26)9-17(8-15)14-26/h1-6,10-11,15-17,23,27H,7-9,12-14H2,(H,28,29)/p-1