[(3aR,6aR)-6a-oxidanyl-1,2,3,4-tetrahydropentalen-3a-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(3aR,6aR)-6a-oxidanyl-1,2,3,4-tetrahydropentalen-3a-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(3aR,6aR)-6a-hydroxy-1,2,3,4-tetrahydropentalen-3a-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(3aR,6aR)-6a-hydroxy-1,2,3,4-tetrahydropentalen-3a-yl]methyl ester IUPAC Name: [(3aR,6aR)-6a-hydroxy-1,2,3,4-tetrahydropentalen-3a-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3aR,6aR)-6a-hydroxy-1,2,3,4-tetrahydropentalen-3a-yl]methyl ester Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC12CCCC1(C=CC2)O

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3/c1-12(2,3)11(15)17-10-13-6-4-8-14(13,16)9-5-7-13/h4,8,16H,5-7,9-10H2,1-3H3/t13-,14-/m0/s1