3-(1-adamantyl)-4-[2-(4-hydroxyphenyl)ethynyl]thiophene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(SC=C4C#CC5=CC=C(C=C5)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(SC=C4C#CC5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C23H22O3S/c24-19-5-2-14(3-6-19)1-4-18-13-27-21(22(25)26)20(18)23-10-15-7-16(11-23)9-17(8-15)12-23/h2-3,5-6,13,15-17,24H,7-12H2,(H,25,26)