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

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanyl-ethoxy]benzoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-hydroxy-ethoxy]benzoic acid CAS Name: 4-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-hydroxyethoxy]benzoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-4-methoxyphenyl]-2-hydroxyethoxy]benzoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-hydroxy-ethoxy]benzoic acid Formula: C26H30O5 MolecularWeight: 422.5134

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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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C26H30O5/c1-30-24-7-4-20(23(27)15-31-21-5-2-19(3-6-21)25(28)29)11-22(24)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18,23,27H,8-10,12-15H2,1H3,(H,28,29)