methyl 4-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]benzoic acid methyl ester Formula: C26H26O3 MolecularWeight: 386.48284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H26O3/c1-29-25(28)22-7-4-17(5-8-22)2-3-18-6-9-24(27)23(13-18)26-14-19-10-20(15-26)12-21(11-19)16-26/h4-9,13,19-21,27H,10-12,14-16H2,1H3