2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate

Systemtic Name: 2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate Openeye Name: 2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate CAS Name: 3-(1-adamantyl)-2-thiophenecarboxylic acid 2-(4-hydroxyphenyl)ethynyl ester IUPAC Name: 2-(4-hydroxyphenyl)ethynyl 3-(1-adamantyl)thiophene-2-carboxylate Traditional Name: 3-(1-adamantyl)thiophene-2-carboxylic acid 2-(4-hydroxyphenyl)ethynyl ester Formula: C23H22O3S MolecularWeight: 378.48398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(SC=C4)C(=O)OC#CC5=CC=C(C=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(SC=C4)C(=O)OC#CC5=CC=C(C=C5)O

InChI

InChI=1S/C23H22O3S/c24-19-3-1-15(2-4-19)5-7-26-22(25)21-20(6-8-27-21)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,6,8,16-18,24H,9-14H2