ethyl (3aR,6S,6aR)-6a-ethynyl-6-methyl-6-oxidanyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate

Systemtic Name: ethyl (3aR,6S,6aR)-6a-ethynyl-6-methyl-6-oxidanyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate Openeye Name: ethyl (3aR,6S,6aR)-6a-ethynyl-6-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate CAS Name: (3aR,6S,6aR)-6a-ethynyl-6-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,6S,6aR)-6a-ethynyl-6-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylate Traditional Name: (3aR,6S,6aR)-6a-ethynyl-6-hydroxy-6-methyl-2,3,4,5-tetrahydro-1H-pentalene-3a-carboxylic acid ethyl ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-4-14-8-6-7-13(14,11(15)17-5-2)10-9-12(14,3)16/h1,16H,5-10H2,2-3H3/t12-,13-,14+/m0/s1