methyl 5-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]thiophene-2-carboxylate Openeye Name: methyl 5-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]thiophene-2-carboxylate CAS Name: 5-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]thiophene-2-carboxylate Traditional Name: 5-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]thiophene-2-carboxylic acid methyl ester Formula: C24H24O3S MolecularWeight: 392.51056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C#CC2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(S1)C#CC2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

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