4-(1-adamantyl)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxylic acid

Systemtic Name: 4-(1-adamantyl)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxylic acid Openeye Name: 4-(1-adamantyl)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxylic acid CAS Name: 4-(1-adamantyl)-5-[2-(4-methoxyphenyl)ethynyl]-3-thiophenecarboxylic acid IUPAC Name: 4-(1-adamantyl)-5-[2-(4-methoxyphenyl)ethynyl]thiophene-3-carboxylic acid Traditional Name: 4-(1-adamantyl)-5-[2-(4-methoxyphenyl)ethynyl]-3-thenoic acid Formula: C24H24O3S MolecularWeight: 392.51056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(C(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(C(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H24O3S/c1-27-19-5-2-15(3-6-19)4-7-21-22(20(14-28-21)23(25)26)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-3,5-6,14,16-18H,8-13H2,1H3,(H,25,26)