4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanyl-ethoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanyl-ethoxy]-2-oxidanyl-benzoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-hydroxy-ethoxy]-2-hydroxy-benzoic acid CAS Name: 4-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-hydroxyethoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-hydroxyethoxy]-2-hydroxybenzoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-hydroxy-ethoxy]-2-hydroxy-benzoic acid Formula: C26H30O6 MolecularWeight: 438.5128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(COC2=CC(=C(C=C2)C(=O)O)O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(COC2=CC(=C(C=C2)C(=O)O)O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30O6/c1-31-24-5-2-18(23(28)14-32-19-3-4-20(25(29)30)22(27)10-19)9-21(24)26-11-15-6-16(12-26)8-17(7-15)13-26/h2-5,9-10,15-17,23,27-28H,6-8,11-14H2,1H3,(H,29,30)