5-(1-adamantyl)-3-ethynyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(1-adamantyl)-3-ethynyl-thiophene-2-carboxylic acid Openeye Name: 5-(1-adamantyl)-3-ethynyl-thiophene-2-carboxylic acid CAS Name: 5-(1-adamantyl)-3-ethynyl-2-thiophenecarboxylic acid IUPAC Name: 5-(1-adamantyl)-3-ethynylthiophene-2-carboxylic acid Traditional Name: 5-(1-adamantyl)-3-ethynyl-2-thenoic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(SC(=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

C#CC1=C(SC(=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C17H18O2S/c1-2-13-6-14(20-15(13)16(18)19)17-7-10-3-11(8-17)5-12(4-10)9-17/h1,6,10-12H,3-5,7-9H2,(H,18,19)