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

Systemtic Name: ethyl (3aR,6aS)-1-methyl-6a-oxidanyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Openeye Name: ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate CAS Name: (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate Traditional Name: (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylic acid ethyl ester Formula: C12H20O3 MolecularWeight: 212.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O3/c1-3-15-10(13)11-6-4-7-12(11,14)9(2)5-8-11/h9,14H,3-8H2,1-2H3/t9?,11-,12-/m0/s1