butyl (1R,3aS,6aR)-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate

Systemtic Name: butyl (1R,3aS,6aR)-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate Openeye Name: butyl (1R,3aS,6aR)-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate CAS Name: (1R,3aS,6aR)-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylic acid butyl ester IUPAC Name: butyl (1R,3aS,6aR)-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylate Traditional Name: (1R,3aS,6aR)-1,2,3,3a,6,6a-hexahydropentalene-1-carboxylic acid butyl ester Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CCC2C1CC=C2

Isomeric SMILES

CCCCOC(=O)[C@@H]1CC[C@@H]2[C@H]1CC=C2

InChI

InChI=1S/C13H20O2/c1-2-3-9-15-13(14)12-8-7-10-5-4-6-11(10)12/h4-5,10-12H,2-3,6-9H2,1H3/t10-,11-,12-/m1/s1