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

Systemtic Name: 5-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]thiophene-3-carboxylic acid Openeye Name: 5-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]thiophene-3-carboxylic acid CAS Name: 5-[2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl]thiophene-3-carboxylic acid Traditional Name: 5-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]-3-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(=CS2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

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