ethyl (1R,3aR,6aR)-6a-ethynyl-1-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate

Systemtic Name: ethyl (1R,3aR,6aR)-6a-ethynyl-1-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Openeye Name: ethyl (1R,3aR,6aR)-6a-ethynyl-1-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate CAS Name: (1R,3aR,6aR)-6a-ethynyl-1-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,3aR,6aR)-6a-ethynyl-1-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Traditional Name: (1R,3aR,6aR)-6a-ethynyl-1-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)O)C#C

Isomeric SMILES

CCOC(=O)[C@@]12CCC[C@@]1([C@@H](CC2)O)C#C

InChI

InChI=1S/C13H18O3/c1-3-12-7-5-8-13(12,9-6-10(12)14)11(15)16-4-2/h1,10,14H,4-9H2,2H3/t10-,12-,13+/m1/s1