methyl (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate

Systemtic Name: methyl (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate Openeye Name: methyl (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate CAS Name: (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate Traditional Name: (3aS,6aR)-3-ethoxy-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylic acid methyl ester Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(C2C1C=CC2)C(=O)OC

Isomeric SMILES

CCOC1CC([C@H]2[C@@H]1C=CC2)C(=O)OC

InChI

InChI=1S/C12H18O3/c1-3-15-11-7-10(12(13)14-2)8-5-4-6-9(8)11/h4,6,8-11H,3,5,7H2,1-2H3/t8-,9+,10?,11?/m1/s1