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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC2=CC=C(S2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC2=CC=C(S2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

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