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

Systemtic Name: 5-[2-[3-(1-adamantyl)-4-oxidanyl-phenyl]ethynyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]thiophene-2-carboxylic acid CAS Name: 5-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-[3-(1-adamantyl)-4-hydroxyphenyl]ethynyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-[3-(1-adamantyl)-4-hydroxy-phenyl]ethynyl]-2-thenoic acid Formula: C23H22O3S MolecularWeight: 378.48398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C#CC5=CC=C(S5)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C#CC5=CC=C(S5)C(=O)O)O

InChI

InChI=1S/C23H22O3S/c24-20-5-2-14(1-3-18-4-6-21(27-18)22(25)26)10-19(20)23-11-15-7-16(12-23)9-17(8-15)13-23/h2,4-6,10,15-17,24H,7-9,11-13H2,(H,25,26)