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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CSC(=C2C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CSC(=C2C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C24H24O3S/c1-27-20-6-3-15(4-7-20)2-5-19-14-28-22(23(25)26)21(19)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-4,6-7,14,16-18H,8-13H2,1H3,(H,25,26)