ethyl 1-ethynyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate

Systemtic Name: ethyl 1-ethynyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Openeye Name: ethyl 1-ethynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate CAS Name: 1-ethynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl 1-ethynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Traditional Name: 1-ethynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCC1(C(CC2)C#C)O

Isomeric SMILES

CCOC(=O)C12CCCC1(C(CC2)C#C)O

InChI

InChI=1S/C13H18O3/c1-3-10-6-9-12(11(14)16-4-2)7-5-8-13(10,12)15/h1,10,15H,4-9H2,2H3