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

Systemtic Name: 5-[1-[3-(1-adamantyl)-4-methoxy-phenyl]ethyl]thiophene-2-carboxylic acid Openeye Name: 5-[1-[3-(1-adamantyl)-4-methoxy-phenyl]ethyl]thiophene-2-carboxylic acid CAS Name: 5-[1-[3-(1-adamantyl)-4-methoxyphenyl]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[1-[3-(1-adamantyl)-4-methoxyphenyl]ethyl]thiophene-2-carboxylic acid Traditional Name: 5-[1-[3-(1-adamantyl)-4-methoxy-phenyl]ethyl]-2-thenoic acid Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(S5)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(S5)C(=O)O

InChI

InChI=1S/C24H28O3S/c1-14(21-5-6-22(28-21)23(25)26)18-3-4-20(27-2)19(10-18)24-11-15-7-16(12-24)9-17(8-15)13-24/h3-6,10,14-17H,7-9,11-13H2,1-2H3,(H,25,26)