ethyl (1S,3aR,6aS)-1-hex-1-ynyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate

Systemtic Name: ethyl (1S,3aR,6aS)-1-hex-1-ynyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Openeye Name: ethyl (1S,3aR,6aS)-1-hex-1-ynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate CAS Name: (1S,3aR,6aS)-1-hex-1-ynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3aR,6aS)-1-hex-1-ynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Traditional Name: (1S,3aR,6aS)-1-hex-1-ynyl-6a-hydroxy-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CCC2(C1(CCC2)O)C(=O)OCC

Isomeric SMILES

CCCCC#C[C@@H]1CC[C@]2([C@@]1(CCC2)O)C(=O)OCC

InChI

InChI=1S/C17H26O3/c1-3-5-6-7-9-14-10-13-16(15(18)20-4-2)11-8-12-17(14,16)19/h14,19H,3-6,8,10-13H2,1-2H3/t14-,16+,17+/m1/s1